G954-0021 Screening compound: 2-({6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide

G954-0021 Screening compound: 2-({6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
G954-0021 Screening compound: 2-({6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G954-0021
2-({6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide

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

G954-0021

Molecular Formula

C24H19F3N4O2S2 (C24 H19 F3 N4 O2 S2)

Compound Name

2-({6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-({6-[2-(3-methoxyphenyl)-4-methyl-13-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide

SMILES

Cc1c(-c(cc2)nnc2SCC(Nc2ccc(C(F)(F)F)cc2)=O)sc(-c2cc(OC)ccc2)n1

InChI

InChI=1S/C24H19F3N4O2S2/c1-14-22(35-23(28-14)15-4-3-5-18(12-15)33-2)19-10-11-21(31-30-19)34-13-20(32)29-17-8-6-16(7-9-17)24(25,26)27/h3-12H,13H2,1-2H3,(H,29,32)

InChI Key

OKKGLRNWEUYKHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09235463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.855

Distribution Coefficient, logD

5.854

Water Solubility, LogSw

-5.57

Polar Surface Area

61.803

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G954-0021 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G954-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0021?
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What is the minimum amount of G954-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0021
  • 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 G954-0021 available by request