G954-0171 Screening compound: methyl 4-[2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate

G954-0171 Screening compound: methyl 4-[2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
G954-0171 Screening compound: methyl 4-[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 G954-0171
methyl 4-[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

G954-0171

Molecular Formula

C22H18N4O3S3 (C22 H18 N4 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c(cc2)nnc2SCC(Nc(cc2)ccc2C(OC)=O)=O)sc(-c2cccs2)n1

InChI

InChI=1S/C22H18N4O3S3/c1-13-20(32-21(23-13)17-4-3-11-30-17)16-9-10-19(26-25-16)31-12-18(27)24-15-7-5-14(6-8-15)22(28)29-2/h3-11H,12H2,1-2H3,(H,24,27)

InChI Key

BSXMKTRWANFEOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.881

Distribution Coefficient, logD

4.881

Water Solubility, LogSw

-4.62

Polar Surface Area

76.452

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G954-0171 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G954-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0171?
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What is the minimum amount of G954-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0171
  • 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 G954-0171 available by request