D724-0059 Screening compound: methyl 2-[(4-cyano-3-propylpyrido[1,2-a][1,3]benzimidazol-1-yl)sulfanyl]acetate

D724-0059 Screening compound: methyl 2-[(4-cyano-3-propylpyrido[1,2-a][1,3]benzimidazol-1-yl)sulfanyl]acetate
D724-0059 Screening compound: methyl 2-[(4-cyano-3-propylpyrido[1,2-a][1,3]benzimidazol-1-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D724-0059
methyl 2-[(4-cyano-3-propylpyrido[1,2-a][1,3]benzimidazol-1-yl)sulfanyl]acetate

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

D724-0059

Molecular Formula

C18H17N3O2S (C18 H17 N3 O2 S)

Compound Name

methyl 2-[(4-cyano-3-propylpyrido[1,2-a][1,3]benzimidazol-1-yl)sulfanyl]acetate

IUPAC name

methyl 2-({10-cyano-11-propyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaen-13-yl}sulfanyl)acetate

SMILES

CCCc(cc(n1c2nc3c1cccc3)SCC(OC)=O)c2C#N

InChI

InChI=1S/C18H17N3O2S/c1-3-6-12-9-16(24-11-17(22)23-2)21-15-8-5-4-7-14(15)20-18(21)13(12)10-19/h4-5,7-9H,3,6,11H2,1-2H3

InChI Key

CXMJXWUXOMWKHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05678965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.116

Distribution Coefficient, logD

4.116

Water Solubility, LogSw

-4.36

Polar Surface Area

46.161

Acid Dissociation Constant (pKa)

21.48

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D724-0059 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D724-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0059?
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What is the minimum amount of D724-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0059
  • 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 D724-0059 available by request