G786-0828 Screening compound: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide

G786-0828 Screening compound: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide
G786-0828 Screening compound: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0828
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)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

G786-0828

Molecular Formula

C23H18FN3O3S2 (C23 H18 FN3 O3 S2)

Compound Name

N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide

IUPAC name

N-(4-fluoro-13-benzothiazol-2-yl)-4-(1234-tetrahydroquinoline-1-sulfonyl)benzamide

SMILES

O=C(c(cc1)ccc1S(N(CCC1)c2c1cccc2)(=O)=O)Nc1nc(c(F)ccc2)c2s1

InChI

InChI=1S/C23H18FN3O3S2/c24-18-7-3-9-20-21(18)25-23(31-20)26-22(28)16-10-12-17(13-11-16)32(29,30)27-14-4-6-15-5-1-2-8-19(15)27/h1-3,5,7-13H,4,6,14H2,(H,25,26,28)

InChI Key

FDVXOHJZJWUTEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04994501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.789

Water Solubility, LogSw

-4.83

Polar Surface Area

65.014

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G786-0828 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Nucleic Acid Ligands (8311 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with G786-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0828?
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What is the minimum amount of G786-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0828
  • 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 G786-0828 available by request