D724-0030 Screening compound: 3-methyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

D724-0030 Screening compound: 3-methyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
D724-0030 Screening compound: 3-methyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D724-0030
3-methyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyrido[1,2-a][1,3]benzimidazol-4-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

D724-0030

Molecular Formula

C22H17N3OS (C22 H17 N3 OS)

Compound Name

3-methyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

11-methyl-13-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(cc1)ccc1C(CSc(n1c2nc3c1cccc3)cc(C)c2C#N)=O

InChI

InChI=1S/C22H17N3OS/c1-14-7-9-16(10-8-14)20(26)13-27-21-11-15(2)17(12-23)22-24-18-5-3-4-6-19(18)25(21)22/h3-11H,13H2,1-2H3

InChI Key

XAKMBLCZRHRTGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05677352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.092

Distribution Coefficient, logD

5.092

Water Solubility, LogSw

-5.00

Polar Surface Area

38.557

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D724-0030 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D724-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0030?
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What is the minimum amount of D724-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0030
  • 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 D724-0030 available by request