G954-0473 Screening compound: 2-({6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-N-propylacetamide

G954-0473 Screening compound: 2-({6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-N-propylacetamide
G954-0473 Screening compound: 2-({6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G954-0473
2-({6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-N-propylacetamide

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

G954-0473

Molecular Formula

C20H22N4O2S2 (C20 H22 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(CSc(cc1)nnc1-c1c(C)nc(-c(cc2)ccc2OC)s1)=O

InChI

InChI=1S/C20H22N4O2S2/c1-4-11-21-17(25)12-27-18-10-9-16(23-24-18)19-13(2)22-20(28-19)14-5-7-15(26-3)8-6-14/h5-10H,4,11-12H2,1-3H3,(H,21,25)

InChI Key

DTLJZZLQHMSCBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09244663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

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

3.669

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-3.83

Polar Surface Area

63.238

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G954-0473 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 G954-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0473?
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What is the minimum amount of G954-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0473
  • 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 G954-0473 available by request