G954-0195 Screening compound: N-(1,3-benzothiazol-2-yl)-2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide

G954-0195 Screening compound: N-(1,3-benzothiazol-2-yl)-2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide
G954-0195 Screening compound: N-(1,3-benzothiazol-2-yl)-2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G954-0195
N-(1,3-benzothiazol-2-yl)-2-({6-[4-methyl-2-(thiophen-2-yl)-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

G954-0195

Molecular Formula

C21H15N5OS4 (C21 H15 N5 OS4)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c(cc2)nnc2SCC(Nc2nc(cccc3)c3s2)=O)sc(-c2cccs2)n1

InChI

InChI=1S/C21H15N5OS4/c1-12-19(31-20(22-12)16-7-4-10-28-16)14-8-9-18(26-25-14)29-11-17(27)24-21-23-13-5-2-3-6-15(13)30-21/h2-10H,11H2,1H3,(H,23,24,27)

InChI Key

CVISJTOKRQCDHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.560

Distribution Coefficient, logD

5.560

Water Solubility, LogSw

-5.43

Polar Surface Area

65.039

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G954-0195 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G954-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0195?
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What is the minimum amount of G954-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0195
  • 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 G954-0195 available by request