D481-1980 Screening compound: 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one

D481-1980 Screening compound: 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one
D481-1980 Screening compound: 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-1980
1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-methylpropan-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

D481-1980

Molecular Formula

C12H13ClN4O (C12 H13 ClN4 O)

Compound Name

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

IUPAC name

1-[5-amino-3-(4-chlorophenyl)-1H-124-triazol-1-yl]-2-methylpropan-1-one

SMILES

CC(C)C(n1nc(-c(cc2)ccc2Cl)nc1N)=O

InChI

InChI=1S/C12H13ClN4O/c1-7(2)11(18)17-12(14)15-10(16-17)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H2,14,15,16)

InChI Key

JSMSGWYXFDRVIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.586

Water Solubility, LogSw

-3.26

Polar Surface Area

58.118

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D481-1980 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D481-1980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-1980?
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What is the minimum amount of D481-1980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-1980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-1980
  • 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 D481-1980 available by request