E737-0531 Screening compound: 1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0531 Screening compound: 1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0531 Screening compound: 1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0531
1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

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

E737-0531

Molecular Formula

C26H20ClN3O3 (C26 H20 ClN3 O3)

Compound Name

1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

IUPAC name

1-[2-(4-chlorophenyl)-2-oxoethyl]-58-dimethyl-3-phenyl-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

Cc(cc1)cc2c1n(C)c(C(N1c3ccccc3)=O)c2N(CC(c(cc2)ccc2Cl)=O)C1=O

InChI

InChI=1S/C26H20ClN3O3/c1-16-8-13-21-20(14-16)23-24(28(21)2)25(32)30(19-6-4-3-5-7-19)26(33)29(23)15-22(31)17-9-11-18(27)12-10-17/h3-14H,15H2,1-2H3

InChI Key

UMLHSZAWJQYRQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.615

Distribution Coefficient, logD

4.615

Water Solubility, LogSw

-4.80

Polar Surface Area

46.983

Acid Dissociation Constant (pKa)

20.00

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

E737-0531 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E737-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0531?
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What is the minimum amount of E737-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0531
  • 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 E737-0531 available by request