G786-1630 Screening compound: 3-(dimethylamino)-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]benzamide

G786-1630 Screening compound: 3-(dimethylamino)-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]benzamide
G786-1630 Screening compound: 3-(dimethylamino)-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1630
3-(dimethylamino)-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]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

G786-1630

Molecular Formula

C20H22N4O3S2 (C20 H22 N4 O3 S2)

Compound Name

3-(dimethylamino)-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]benzamide

IUPAC name

3-(dimethylamino)-N-[6-(pyrrolidine-1-sulfonyl)-13-benzothiazol-2-yl]benzamide

SMILES

CN(C)c1cccc(C(Nc2nc(ccc(S(N3CCCC3)(=O)=O)c3)c3s2)=O)c1

InChI

InChI=1S/C20H22N4O3S2/c1-23(2)15-7-5-6-14(12-15)19(25)22-20-21-17-9-8-16(13-18(17)28-20)29(26,27)24-10-3-4-11-24/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,22,25)

InChI Key

CICLKMWOKPYDMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05012024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

4.087

Water Solubility, LogSw

-4.13

Polar Surface Area

67.973

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G786-1630 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 G786-1630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1630?
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What is the minimum amount of G786-1630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1630
  • 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 G786-1630 available by request