C202-0672 Screening compound: 4-(2,3-dimethoxyphenyl)-N~3~-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

C202-0672 Screening compound: 4-(2,3-dimethoxyphenyl)-N~3~-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
C202-0672 Screening compound: 4-(2,3-dimethoxyphenyl)-N~3~-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0672
4-(2,3-dimethoxyphenyl)-N~3~-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

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

C202-0672

Molecular Formula

C28H28N4O3 (C28 H28 N4 O3)

Compound Name

4-(2,3-dimethoxyphenyl)-N~3~-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

IUPAC name

13-(23-dimethoxyphenyl)-N-(24-dimethylphenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene-12-carboxamide

SMILES

Cc(cc1)cc(C)c1NC(C1=C(C)Nc2nc(cccc3)c3n2C1c(cccc1OC)c1OC)=O

InChI

InChI=1S/C28H28N4O3/c1-16-13-14-20(17(2)15-16)30-27(33)24-18(3)29-28-31-21-10-6-7-11-22(21)32(28)25(24)19-9-8-12-23(34-4)26(19)35-5/h6-15,25H,1-5H3,(H,29,31)(H,30,33)/t25-/m0/s1

InChI Key

XKMMRWLHVJACFM-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14730116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.478

Distribution Coefficient, logD

5.478

Water Solubility, LogSw

-5.38

Polar Surface Area

61.775

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

C202-0672 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C202-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0672?
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What is the minimum amount of C202-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0672
  • 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 C202-0672 available by request