G865-0028 Screening compound: 2-[(5-{[(3-chloro-2-methylphenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one

G865-0028 Screening compound: 2-[(5-{[(3-chloro-2-methylphenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one
G865-0028 Screening compound: 2-[(5-{[(3-chloro-2-methylphenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G865-0028
2-[(5-{[(3-chloro-2-methylphenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-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

G865-0028

Molecular Formula

C21H21ClN4OS (C21 H21 ClN4 OS)

Compound Name

2-[(5-{[(3-chloro-2-methylphenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one

IUPAC name

2-[(5-{[(3-chloro-2-methylphenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl)sulfanyl]-1-phenylethan-1-one

SMILES

Cc(c(NCc(n1CC=C)nnc1SCC(c1ccccc1)=O)ccc1)c1Cl

InChI

InChI=1S/C21H21ClN4OS/c1-3-12-26-20(13-23-18-11-7-10-17(22)15(18)2)24-25-21(26)28-14-19(27)16-8-5-4-6-9-16/h3-11,23H,1,12-14H2,2H3

InChI Key

LUBLJCUSXPRDPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05154836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

4.529

Water Solubility, LogSw

-4.51

Polar Surface Area

48.251

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with G865-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G865-0028?
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What is the minimum amount of G865-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G865-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G865-0028
  • 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 G865-0028 available by request