G786-0880 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide

G786-0880 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide
G786-0880 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0880
N-(6-bromo-1,3-benzothiazol-2-yl)-4-[(2-methylpiperidin-1-yl)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

G786-0880

Molecular Formula

C20H20BrN3O3S2 (C20 H20 BrN3 O3 S2)

Compound Name

N-(6-bromo-1,3-benzothiazol-2-yl)-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide

IUPAC name

N-(6-bromo-13-benzothiazol-2-yl)-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide

SMILES

CC(CCCC1)N1S(c(cc1)ccc1C(Nc1nc(ccc(Br)c2)c2s1)=O)(=O)=O

InChI

InChI=1S/C20H20BrN3O3S2/c1-13-4-2-3-11-24(13)29(26,27)16-8-5-14(6-9-16)19(25)23-20-22-17-10-7-15(21)12-18(17)28-20/h5-10,12-13H,2-4,11H2,1H3,(H,22,23,25)/t13-/m0/s1

InChI Key

LQADZUZBNHWKGU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04424123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.43

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

5.026

Distribution Coefficient, logD

5.020

Water Solubility, LogSw

-4.63

Polar Surface Area

64.864

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

G786-0880 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 G786-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0880?
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What is the minimum amount of G786-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0880
  • 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 G786-0880 available by request