D724-0197 Screening compound: 5-[2-hydroxy-3-(4-methoxyanilino)propyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

D724-0197 Screening compound: 5-[2-hydroxy-3-(4-methoxyanilino)propyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
D724-0197 Screening compound: 5-[2-hydroxy-3-(4-methoxyanilino)propyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D724-0197
5-[2-hydroxy-3-(4-methoxyanilino)propyl]-3-methyl-1-oxo-1,5-dihydropyrido[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

D724-0197

Molecular Formula

C23H22N4O3 (C23 H22 N4 O3)

Compound Name

5-[2-hydroxy-3-(4-methoxyanilino)propyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

8-{2-hydroxy-3-[(4-methoxyphenyl)amino]propyl}-11-methyl-13-oxo-18-diazatricyclo[7.4.0.0^{27}]trideca-246911-pentaene-10-carbonitrile

SMILES

CC(C(C#N)=C1N2c(cccc3)c3N1CC(CNc(cc1)ccc1OC)O)=CC2=O

InChI

InChI=1S/C23H22N4O3/c1-15-11-22(29)27-21-6-4-3-5-20(21)26(23(27)19(15)12-24)14-17(28)13-25-16-7-9-18(30-2)10-8-16/h3-11,17,25,28H,13-14H2,1-2H3/t17-/m0/s1

InChI Key

SOONLAYAVSRWBV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05691934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.694

Distribution Coefficient, logD

2.694

Water Solubility, LogSw

-3.02

Polar Surface Area

69.328

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

D724-0197 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D724-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0197?
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What is the minimum amount of D724-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0197
  • 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 D724-0197 available by request