8016-9590 Screening compound: [2-methyl-4-(3-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](phenyl)methanone

8016-9590 Screening compound: [2-methyl-4-(3-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](phenyl)methanone
8016-9590 Screening compound: [2-methyl-4-(3-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9590
[2-methyl-4-(3-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](phenyl)methanone

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

8016-9590

Molecular Formula

C25H21N3O (C25 H21 N3 O)

Compound Name

[2-methyl-4-(3-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](phenyl)methanone

IUPAC name

12-benzoyl-11-methyl-13-(3-methylphenyl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene

SMILES

Cc1cccc(C(C(C(c2ccccc2)=O)=C(C)N2)n3c2nc2c3cccc2)c1

InChI

InChI=1S/C25H21N3O/c1-16-9-8-12-19(15-16)23-22(24(29)18-10-4-3-5-11-18)17(2)26-25-27-20-13-6-7-14-21(20)28(23)25/h3-15,23H,1-2H3,(H,26,27)/t23-/m0/s1

InChI Key

GLOXFZMAFBALMA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD05860588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.764

Distribution Coefficient, logD

5.764

Water Solubility, LogSw

-5.57

Polar Surface Area

37.501

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

8016-9590 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 8016-9590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9590?
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What is the minimum amount of 8016-9590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9590
  • 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 8016-9590 available by request