G786-0868 Screening compound: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(pyrrolidine-1-sulfonyl)benzamide

G786-0868 Screening compound: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(pyrrolidine-1-sulfonyl)benzamide
G786-0868 Screening compound: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(pyrrolidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0868
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(pyrrolidine-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

G786-0868

Molecular Formula

C20H21N3O3S2 (C20 H21 N3 O3 S2)

Compound Name

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(pyrrolidine-1-sulfonyl)benzamide

IUPAC name

N-(57-dimethyl-13-benzothiazol-2-yl)-4-(pyrrolidine-1-sulfonyl)benzamide

SMILES

Cc(cc1C)cc2c1sc(NC(c(cc1)ccc1S(N1CCCC1)(=O)=O)=O)n2

InChI

InChI=1S/C20H21N3O3S2/c1-13-11-14(2)18-17(12-13)21-20(27-18)22-19(24)15-5-7-16(8-6-15)28(25,26)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,22,24)

InChI Key

FGPRIMJBVVNGSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04995895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.678

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.34

Polar Surface Area

65.168

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G786-0868 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with G786-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0868?
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What is the minimum amount of G786-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0868
  • 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 G786-0868 available by request