G786-0819 Screening compound: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide

G786-0819 Screening compound: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide
G786-0819 Screening compound: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0819
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[(4-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

G786-0819

Molecular Formula

C21H23N3O4S2 (C21 H23 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1S(c(cc1)ccc1C(Nc1nc(c(OC)ccc2)c2s1)=O)(=O)=O

InChI

InChI=1S/C21H23N3O4S2/c1-14-10-12-24(13-11-14)30(26,27)16-8-6-15(7-9-16)20(25)23-21-22-19-17(28-2)4-3-5-18(19)29-21/h3-9,14H,10-13H2,1-2H3,(H,22,23,25)

InChI Key

WFMLJWMWQCIDMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04424097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.327

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.26

Polar Surface Area

73.203

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G786-0819 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G786-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0819?
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What is the minimum amount of G786-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0819
  • 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 G786-0819 available by request