G786-1272 Screening compound: 2-{[6-amino-1-(4-fluorophenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide

G786-1272 Screening compound: 2-{[6-amino-1-(4-fluorophenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide
G786-1272 Screening compound: 2-{[6-amino-1-(4-fluorophenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1272
2-{[6-amino-1-(4-fluorophenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)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

G786-1272

Molecular Formula

C16H14FN5O2S2 (C16 H14 FN5 O2 S2)

Compound Name

2-{[6-amino-1-(4-fluorophenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide

IUPAC name

2-{[6-amino-1-(4-fluorophenyl)-4-oxo-14-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methyl-13-thiazol-2-yl)acetamide

SMILES

Cc1csc(NC(CSC(N(c(cc2)ccc2F)C(N)=C2)=NC2=O)=O)n1

InChI

InChI=1S/C16H14FN5O2S2/c1-9-7-25-15(19-9)20-14(24)8-26-16-21-13(23)6-12(18)22(16)11-4-2-10(17)3-5-11/h2-7H,8,18H2,1H3,(H,19,20,24)

InChI Key

JXTURHUEABAPAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06700400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.584

Distribution Coefficient, logD

1.581

Water Solubility, LogSw

-2.42

Polar Surface Area

77.204

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G786-1272 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G786-1272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1272?
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What is the minimum amount of G786-1272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1272
  • 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 G786-1272 available by request