G954-0397 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide

G954-0397 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide
G954-0397 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G954-0397
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)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

G954-0397

Molecular Formula

C23H15ClF4N4OS2 (C23 H15 ClF4 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c(cc2)nnc2SCC(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)sc(-c(cc2)ccc2F)n1

InChI

InChI=1S/C23H15ClF4N4OS2/c1-12-21(35-22(29-12)13-2-5-15(25)6-3-13)17-8-9-20(32-31-17)34-11-19(33)30-18-10-14(23(26,27)28)4-7-16(18)24/h2-10H,11H2,1H3,(H,30,33)

InChI Key

HRJJHDZTTUMUQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.193

Distribution Coefficient, logD

6.154

Water Solubility, LogSw

-6.24

Polar Surface Area

53.562

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G954-0397 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G954-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0397?
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What is the minimum amount of G954-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0397
  • 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 G954-0397 available by request