D481-2012 Screening compound: 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2,2-diphenylethan-1-one

D481-2012 Screening compound: 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2,2-diphenylethan-1-one
D481-2012 Screening compound: 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2,2-diphenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-2012
1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2,2-diphenylethan-1-one

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

D481-2012

Molecular Formula

C22H17ClN4O (C22 H17 ClN4 O)

Compound Name

1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2,2-diphenylethan-1-one

IUPAC name

1-[5-amino-3-(4-chlorophenyl)-1H-124-triazol-1-yl]-22-diphenylethan-1-one

SMILES

Nc1nc(-c(cc2)ccc2Cl)nn1C(C(c1ccccc1)c1ccccc1)=O

InChI

InChI=1S/C22H17ClN4O/c23-18-13-11-17(12-14-18)20-25-22(24)27(26-20)21(28)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,24,25,26)

InChI Key

INFOVFYSGLSRBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.765

Distribution Coefficient, logD

4.401

Water Solubility, LogSw

-5.26

Polar Surface Area

57.575

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

D481-2012 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 D481-2012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-2012?
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What is the minimum amount of D481-2012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-2012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-2012
  • 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 D481-2012 available by request