C549-0572 Screening compound: 5-amino-N-(4-ethylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide

C549-0572 Screening compound: 5-amino-N-(4-ethylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
C549-0572 Screening compound: 5-amino-N-(4-ethylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C549-0572
5-amino-N-(4-ethylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-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

C549-0572

Molecular Formula

C19H21N5OS (C19 H21 N5 OS)

Compound Name

5-amino-N-(4-ethylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-N-(4-ethylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-123-triazole-4-carboxamide

SMILES

CCc(cc1)ccc1NC(c1c(N)n(Cc(cc2)ccc2SC)nn1)=O

InChI

InChI=1S/C19H21N5OS/c1-3-13-4-8-15(9-5-13)21-19(25)17-18(20)24(23-22-17)12-14-6-10-16(26-2)11-7-14/h4-11H,3,12,20H2,1-2H3,(H,21,25)

InChI Key

GBTDPRQYVGLSFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.717

Distribution Coefficient, logD

3.717

Water Solubility, LogSw

-4.05

Polar Surface Area

69.288

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with C549-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C549-0572?
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What is the minimum amount of C549-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C549-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C549-0572
  • 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 C549-0572 available by request