C202-0988 Screening compound: 4-(4-chlorophenyl)-N~3~,N~3~-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

C202-0988 Screening compound: 4-(4-chlorophenyl)-N~3~,N~3~-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
C202-0988 Screening compound: 4-(4-chlorophenyl)-N~3~,N~3~-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0988
4-(4-chlorophenyl)-N~3~,N~3~-diethyl-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

C202-0988

Molecular Formula

C22H23ClN4O (C22 H23 ClN4 O)

Compound Name

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

IUPAC name

13-(4-chlorophenyl)-NN-diethyl-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene-12-carboxamide

SMILES

CCN(CC)C(C1=C(C)Nc2nc(cccc3)c3n2C1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H23ClN4O/c1-4-26(5-2)21(28)19-14(3)24-22-25-17-8-6-7-9-18(17)27(22)20(19)15-10-12-16(23)13-11-15/h6-13,20H,4-5H2,1-3H3,(H,24,25)/t20-/m0/s1

InChI Key

HHZXLLAYHLGEBG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14730256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

4.520

Water Solubility, LogSw

-4.87

Polar Surface Area

39.966

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C202-0988 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Human Proteases Annotated Library (2868 compounds)

Nucleic Acid Ligands (8311 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C202-0988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0988?
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What is the minimum amount of C202-0988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0988
  • 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 C202-0988 available by request