D724-0131 Screening compound: 1-(3,5-dimethylphenyl)-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide

D724-0131 Screening compound: 1-(3,5-dimethylphenyl)-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide
D724-0131 Screening compound: 1-(3,5-dimethylphenyl)-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D724-0131
1-(3,5-dimethylphenyl)-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide

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

D724-0131

Molecular Formula

C23H20N4 (C23 H20 N4)

Compound Name

1-(3,5-dimethylphenyl)-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide

IUPAC name

3-(35-dimethylphenyl)-7-methyl-1310-triazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-2(6)79111315-hexaene-8-carbonitrile

SMILES

Cc1cc(N(CC2)c(n3c4nc5c3cccc5)c2c(C)c4C#N)cc(C)c1

InChI

InChI=1S/C23H20N4/c1-14-10-15(2)12-17(11-14)26-9-8-18-16(3)19(13-24)22-25-20-6-4-5-7-21(20)27(22)23(18)26/h4-7,10-12H,8-9H2,1-3H3

InChI Key

LDCSJLYMJJCCCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06643316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.443

Distribution Coefficient, logD

5.443

Water Solubility, LogSw

-5.47

Polar Surface Area

30.810

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D724-0131 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D724-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0131?
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What is the minimum amount of D724-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0131
  • 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 D724-0131 available by request