G954-0172 Screening compound: ethyl 2-[2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate

G954-0172 Screening compound: ethyl 2-[2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
G954-0172 Screening compound: ethyl 2-[2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G954-0172
ethyl 2-[2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate

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

G954-0172

Molecular Formula

C23H20N4O3S3 (C23 H20 N4 O3 S3)

Compound Name

ethyl 2-[2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate

IUPAC name

ethyl 2-[2-({6-[4-methyl-2-(thiophen-2-yl)-13-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc(cc1)nnc1-c1c(C)nc(-c2cccs2)s1)=O)=O

InChI

InChI=1S/C23H20N4O3S3/c1-3-30-23(29)15-7-4-5-8-16(15)25-19(28)13-32-20-11-10-17(26-27-20)21-14(2)24-22(33-21)18-9-6-12-31-18/h4-12H,3,13H2,1-2H3,(H,25,28)

InChI Key

OELBTVPPUKLNNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.058

Distribution Coefficient, logD

5.042

Water Solubility, LogSw

-4.58

Polar Surface Area

75.334

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G954-0172 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 G954-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0172?
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What is the minimum amount of G954-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0172
  • 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 G954-0172 available by request