8018-3582 Screening compound: N~3~-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

8018-3582 Screening compound: N~3~-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
8018-3582 Screening compound: N~3~-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3582
N~3~-(4-chloro-2,5-dimethoxyphenyl)-4-(4-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

8018-3582

Molecular Formula

C27H25ClN4O4 (C27 H25 ClN4 O4)

Compound Name

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

IUPAC name

N-(4-chloro-25-dimethoxyphenyl)-13-(4-methoxyphenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-12-carboxamide

SMILES

CC(Nc1nc(cccc2)c2n1C1c(cc2)ccc2OC)=C1C(Nc(c(OC)c1)cc(OC)c1Cl)=O

InChI

InChI=1S/C27H25ClN4O4/c1-15-24(26(33)30-20-14-22(35-3)18(28)13-23(20)36-4)25(16-9-11-17(34-2)12-10-16)32-21-8-6-5-7-19(21)31-27(32)29-15/h5-14,25H,1-4H3,(H,29,31)(H,30,33)/t25-/m0/s1

InChI Key

XBLVQKBMJOHATP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD07065489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.400

Distribution Coefficient, logD

5.385

Water Solubility, LogSw

-6.12

Polar Surface Area

69.232

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

8018-3582 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 8018-3582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3582?
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What is the minimum amount of 8018-3582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3582
  • 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 8018-3582 available by request