Screening compound: InChI=1S/C22H18BrN3O4/c1-24-17-12-26(16-11-7-5-9-14(16)21(28)30-3)19(13-8-4-6-10-15(13)23)18(17)20(27)25(2)22(24)29/h4-12H,1-3H3

Screening compound: InChI=1S/C22H18BrN3O4/c1-24-17-12-26(16-11-7-5-9-14(16)21(28)30-3)19(13-8-4-6-10-15(13)23)18(17)20(27)25(2)22(24)29/h4-12H,1-3H3
Screening compound: InChI=1S/C22H18BrN3O4/c1-24-17-12-26(16-11-7-5-9-14(16)21(28)30-3)19(13-8-4-6-10-15(13)23)18(17)20(27)25(2)22(24)29/h4-12H,1-3H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C22H18BrN3O4/c1-24-17-12-26(16-11-7-5-9-14(16)21(28)30-3)19(13-8-4-6-10-15(13)23)18(17)20(27)25(2)22(24)29/h4-12H,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

D252-0132

Molecular Formula

C22H18BrN3O4 (C22 H18 BrN3 O4)

Compound Name

methyl 2-[5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate

IUPAC name

methyl 2-[5-(2-bromophenyl)-13-dimethyl-24-dioxo-1H2H3H4H6H-pyrrolo[34-d]pyrimidin-6-yl]benzoate

SMILES

CN(c(c(C(N1C)=O)c2-c(cccc3)c3Br)cn2-c(cccc2)c2C(OC)=O)C1=O

InChI

InChI=1S/C22H18BrN3O4/c1-24-17-12-26(16-11-7-5-9-14(16)21(28)30-3)19(13-8-4-6-10-15(13)23)18(17)20(27)25(2)22(24)29/h4-12H,1-3H3

InChI Key

RNMKNZQWRZURIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815555

InChI=1S/C22H18BrN3O4/c1-24-17-12-26(16-11-7-5-9-14(16)21(28)30-3)19(13-8-4-6-10-15(13)23)18(17)20(27)25(2)22(24)29/h4-12H,1-3H3 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with InChI=1S/C22H18BrN3O4/c1-24-17-12-26(16-11-7-5-9-14(16)21(28)30-3)19(13-8-4-6-10-15(13)23)18(17)20(27)25(2)22(24)29/h4-12H,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/C22H18BrN3O4/c1-24-17-12-26(16-11-7-5-9-14(16)21(28)30-3)19(13-8-4-6-10-15(13)23)18(17)20(27)25(2)22(24)29/h4-12H,1-3H3
ChemDiv sends parcels with Express services (UPS, WC).
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  • 2–4 weeks for large selections
Delivery formats for InChI=1S/C22H18BrN3O4/c1-24-17-12-26(16-11-7-5-9-14(16)21(28)30-3)19(13-8-4-6-10-15(13)23)18(17)20(27)25(2)22(24)29/h4-12H,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/C22H18BrN3O4/c1-24-17-12-26(16-11-7-5-9-14(16)21(28)30-3)19(13-8-4-6-10-15(13)23)18(17)20(27)25(2)22(24)29/h4-12H,1-3H3 available by request