C202-1261 Screening compound: 4-(5-bromo-2-methoxyphenyl)-N~3~-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

C202-1261 Screening compound: 4-(5-bromo-2-methoxyphenyl)-N~3~-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
C202-1261 Screening compound: 4-(5-bromo-2-methoxyphenyl)-N~3~-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1261
4-(5-bromo-2-methoxyphenyl)-N~3~-(2-methoxyphenyl)-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

C202-1261

Molecular Formula

C26H23BrN4O3 (C26 H23 BrN4 O3)

Compound Name

4-(5-bromo-2-methoxyphenyl)-N~3~-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

IUPAC name

13-(5-bromo-2-methoxyphenyl)-N-(2-methoxyphenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene-12-carboxamide

SMILES

CC(Nc1nc(cccc2)c2n1C1c(cc(cc2)Br)c2OC)=C1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C26H23BrN4O3/c1-15-23(25(32)29-19-9-5-7-11-22(19)34-3)24(17-14-16(27)12-13-21(17)33-2)31-20-10-6-4-8-18(20)30-26(31)28-15/h4-14,24H,1-3H3,(H,28,30)(H,29,32)/t24-/m0/s1

InChI Key

RJKRJEFHQXQLTE-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14730384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.4

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

5.798

Distribution Coefficient, logD

5.798

Water Solubility, LogSw

-5.55

Polar Surface Area

61.688

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

C202-1261 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C202-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1261?
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What is the minimum amount of C202-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1261
  • 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 C202-1261 available by request