C202-0824 Screening compound: 4-(3-bromophenyl)-N~3~-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

C202-0824 Screening compound: 4-(3-bromophenyl)-N~3~-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
C202-0824 Screening compound: 4-(3-bromophenyl)-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 C202-0824
4-(3-bromophenyl)-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

C202-0824

Molecular Formula

C25H21BrN4O2 (C25 H21 BrN4 O2)

Compound Name

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

IUPAC name

13-(3-bromophenyl)-N-(2-methoxyphenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene-12-carboxamide

SMILES

CC(Nc1nc(cccc2)c2n1C1c2cccc(Br)c2)=C1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C25H21BrN4O2/c1-15-22(24(31)28-19-11-4-6-13-21(19)32-2)23(16-8-7-9-17(26)14-16)30-20-12-5-3-10-18(20)29-25(30)27-15/h3-14,23H,1-2H3,(H,27,29)(H,28,31)/t23-/m0/s1

InChI Key

IQTZOUQBVDFPNG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14730170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.729

Distribution Coefficient, logD

5.729

Water Solubility, LogSw

-5.52

Polar Surface Area

54.058

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

C202-0824 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C202-0824 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0824?
Check Price and Availability of C202-0824, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C202-0824 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0824
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0824
  • 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 C202-0824 available by request