C368-0420 Screening compound: 5-amino-1-{2-[(3-chlorophenyl)amino]-2-oxoethyl}-N-(4-ethylphenyl)-1H-1,2,3-triazole-4-carboxamide

C368-0420 Screening compound: 5-amino-1-{2-[(3-chlorophenyl)amino]-2-oxoethyl}-N-(4-ethylphenyl)-1H-1,2,3-triazole-4-carboxamide
C368-0420 Screening compound: 5-amino-1-{2-[(3-chlorophenyl)amino]-2-oxoethyl}-N-(4-ethylphenyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0420
5-amino-1-{2-[(3-chlorophenyl)amino]-2-oxoethyl}-N-(4-ethylphenyl)-1H-1,2,3-triazole-4-carboxamide

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

C368-0420

Molecular Formula

C19H19ClN6O2 (C19 H19 ClN6 O2)

Compound Name

5-amino-1-{2-[(3-chlorophenyl)amino]-2-oxoethyl}-N-(4-ethylphenyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-1-{[(3-chlorophenyl)carbamoyl]methyl}-N-(4-ethylphenyl)-1H-123-triazole-4-carboxamide

SMILES

CCc(cc1)ccc1NC(c1c(N)n(CC(Nc2cccc(Cl)c2)=O)nn1)=O

InChI

InChI=1S/C19H19ClN6O2/c1-2-12-6-8-14(9-7-12)23-19(28)17-18(21)26(25-24-17)11-16(27)22-15-5-3-4-13(20)10-15/h3-10H,2,11,21H2,1H3,(H,22,27)(H,23,28)

InChI Key

MGNCEGHFPDTXCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-3.62

Polar Surface Area

92.437

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C368-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0420?
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What is the minimum amount of C368-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0420
  • 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 C368-0420 available by request