Screening compound: InChI=1S/C26H22ClN5O3/c1-4-31-24-19(13-28-23(29-24)16-9-11-17(27)12-10-16)25(34)32(26(31)35)14-21(33)22-15(2)30(3)20-8-6-5-7-18(20)22/h5-13H,4,14H2,1-3H3

Screening compound: InChI=1S/C26H22ClN5O3/c1-4-31-24-19(13-28-23(29-24)16-9-11-17(27)12-10-16)25(34)32(26(31)35)14-21(33)22-15(2)30(3)20-8-6-5-7-18(20)22/h5-13H,4,14H2,1-3H3
Screening compound: InChI=1S/C26H22ClN5O3/c1-4-31-24-19(13-28-23(29-24)16-9-11-17(27)12-10-16)25(34)32(26(31)35)14-21(33)22-15(2)30(3)20-8-6-5-7-18(20)22/h5-13H,4,14H2,1-3H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C26H22ClN5O3/c1-4-31-24-19(13-28-23(29-24)16-9-11-17(27)12-10-16)25(34)32(26(31)35)14-21(33)22-15(2)30(3)20-8-6-5-7-18(20)22/h5-13H,4,14H2,1-3H3

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L559-0754

Molecular Formula

C26H22ClN5O3 (C26 H22 ClN5 O3)

Compound Name

7-(4-chlorophenyl)-3-[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]-1-ethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

7-(4-chlorophenyl)-3-[2-(12-dimethyl-1H-indol-3-yl)-2-oxoethyl]-1-ethyl-1H2H3H4H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CCN(c(nc(-c(cc1)ccc1Cl)nc1)c1C(N1CC(c2c(C)n(C)c3c2cccc3)=O)=O)C1=O

InChI

InChI=1S/C26H22ClN5O3/c1-4-31-24-19(13-28-23(29-24)16-9-11-17(27)12-10-16)25(34)32(26(31)35)14-21(33)22-15(2)30(3)20-8-6-5-7-18(20)22/h5-13H,4,14H2,1-3H3

InChI Key

JBVWDIATWYUCCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27462114

InChI=1S/C26H22ClN5O3/c1-4-31-24-19(13-28-23(29-24)16-9-11-17(27)12-10-16)25(34)32(26(31)35)14-21(33)22-15(2)30(3)20-8-6-5-7-18(20)22/h5-13H,4,14H2,1-3H3 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Targets:
  • Others

References: we are preparing a list of scientific research reports with InChI=1S/C26H22ClN5O3/c1-4-31-24-19(13-28-23(29-24)16-9-11-17(27)12-10-16)25(34)32(26(31)35)14-21(33)22-15(2)30(3)20-8-6-5-7-18(20)22/h5-13H,4,14H2,1-3H3 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for InChI=1S/C26H22ClN5O3/c1-4-31-24-19(13-28-23(29-24)16-9-11-17(27)12-10-16)25(34)32(26(31)35)14-21(33)22-15(2)30(3)20-8-6-5-7-18(20)22/h5-13H,4,14H2,1-3H3
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for InChI=1S/C26H22ClN5O3/c1-4-31-24-19(13-28-23(29-24)16-9-11-17(27)12-10-16)25(34)32(26(31)35)14-21(33)22-15(2)30(3)20-8-6-5-7-18(20)22/h5-13H,4,14H2,1-3H3
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of InChI=1S/C26H22ClN5O3/c1-4-31-24-19(13-28-23(29-24)16-9-11-17(27)12-10-16)25(34)32(26(31)35)14-21(33)22-15(2)30(3)20-8-6-5-7-18(20)22/h5-13H,4,14H2,1-3H3 available by request