G072-1096 Screening compound: 2-fluoro-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide

G072-1096 Screening compound: 2-fluoro-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
G072-1096 Screening compound: 2-fluoro-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-1096
2-fluoro-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide

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

G072-1096

Molecular Formula

C22H19FN4O2S2 (C22 H19 FN4 O2 S2)

Compound Name

2-fluoro-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide

IUPAC name

2-fluoro-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide

SMILES

CC(C)C(SC1=NC(CSc(cccc2)c2NC(c(cccc2)c2F)=O)=C2)=NN1C2=O

InChI

InChI=1S/C22H19FN4O2S2/c1-13(2)21-26-27-19(28)11-14(24-22(27)31-21)12-30-18-10-6-5-9-17(18)25-20(29)15-7-3-4-8-16(15)23/h3-11,13H,12H2,1-2H3,(H,25,29)

InChI Key

JVXVYTJBXABSEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.321

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.34

Polar Surface Area

60.664

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G072-1096 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with G072-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-1096?
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What is the minimum amount of G072-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-1096
  • 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 G072-1096 available by request