G786-1666 Screening compound: 2-[(4-fluorophenyl)sulfanyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide

G786-1666 Screening compound: 2-[(4-fluorophenyl)sulfanyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
G786-1666 Screening compound: 2-[(4-fluorophenyl)sulfanyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1666
2-[(4-fluorophenyl)sulfanyl]-N-(6-sulfamoyl-1,3-benzothiazol-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

G786-1666

Molecular Formula

C15H12FN3O3S3 (C15 H12 FN3 O3 S3)

Compound Name

2-[(4-fluorophenyl)sulfanyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-[(4-fluorophenyl)sulfanyl]-N-(6-sulfamoyl-13-benzothiazol-2-yl)acetamide

SMILES

NS(c(cc1)cc2c1nc(NC(CSc(cc1)ccc1F)=O)s2)(=O)=O

InChI

InChI=1S/C15H12FN3O3S3/c16-9-1-3-10(4-2-9)23-8-14(20)19-15-18-12-6-5-11(25(17,21)22)7-13(12)24-15/h1-7H,8H2,(H2,17,21,22)(H,18,19,20)

InChI Key

ILDNGGJADVEGTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06747065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.915

Distribution Coefficient, logD

2.914

Water Solubility, LogSw

-3.51

Polar Surface Area

83.481

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

G786-1666 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G786-1666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1666?
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What is the minimum amount of G786-1666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1666
  • 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 G786-1666 available by request