D481-1987 Screening compound: 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one

D481-1987 Screening compound: 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
D481-1987 Screening compound: 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-1987
1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-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

D481-1987

Molecular Formula

C17H15ClN4O (C17 H15 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

Nc1nc(-c(cc2)ccc2Cl)nn1C(CCc1ccccc1)=O

InChI

InChI=1S/C17H15ClN4O/c18-14-9-7-13(8-10-14)16-20-17(19)22(21-16)15(23)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H2,19,20,21)

InChI Key

ZFOFTZUDSDCJKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04212946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.79

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

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.45

Polar Surface Area

57.319

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with D481-1987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-1987?
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What is the minimum amount of D481-1987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-1987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-1987
  • 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 D481-1987 available by request