G954-0333 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide

G954-0333 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide
G954-0333 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-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 G954-0333
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-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

G954-0333

Molecular Formula

C20H17FN6OS3 (C20 H17 FN6 OS3)

Compound Name

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

IUPAC name

N-(5-ethyl-134-thiadiazol-2-yl)-2-({6-[2-(4-fluorophenyl)-4-methyl-13-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide

SMILES

CCc1nnc(NC(CSc(cc2)nnc2-c2c(C)nc(-c(cc3)ccc3F)s2)=O)s1

InChI

InChI=1S/C20H17FN6OS3/c1-3-16-25-27-20(30-16)23-15(28)10-29-17-9-8-14(24-26-17)18-11(2)22-19(31-18)12-4-6-13(21)7-5-12/h4-9H,3,10H2,1-2H3,(H,23,27,28)

InChI Key

RZXOSJWNLDYHLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08915910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.559

Distribution Coefficient, logD

4.503

Water Solubility, LogSw

-4.32

Polar Surface Area

78.300

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G954-0333 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 G954-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0333?
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What is the minimum amount of G954-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0333
  • 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 G954-0333 available by request