8018-3584 Screening compound: 2-methyl-N~3~,4-diphenyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

8018-3584 Screening compound: 2-methyl-N~3~,4-diphenyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
8018-3584 Screening compound: 2-methyl-N~3~,4-diphenyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3584
2-methyl-N~3~,4-diphenyl-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

8018-3584

Molecular Formula

C24H20N4O (C24 H20 N4 O)

Compound Name

2-methyl-N~3~,4-diphenyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

IUPAC name

11-methyl-N13-diphenyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-12-carboxamide

SMILES

CC(Nc1nc(cccc2)c2n1C1c2ccccc2)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C24H20N4O/c1-16-21(23(29)26-18-12-6-3-7-13-18)22(17-10-4-2-5-11-17)28-20-15-9-8-14-19(20)27-24(28)25-16/h2-15,22H,1H3,(H,25,27)(H,26,29)/t22-/m0/s1

InChI Key

UPEVFCGKJSUQBR-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD07065492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.744

Distribution Coefficient, logD

4.744

Water Solubility, LogSw

-4.54

Polar Surface Area

47.125

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

8018-3584 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 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 8018-3584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3584?
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What is the minimum amount of 8018-3584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3584
  • 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 8018-3584 available by request