G837-0082 Screening compound: N-(4-METHOXY-1,3-BENZOTHIAZOL-2-YL)-4-(1,2,3,4-TETRAHYDROISOQUINOLINE-2-SULFONYL)BENZAMIDE

G837-0082 Screening compound: N-(4-METHOXY-1,3-BENZOTHIAZOL-2-YL)-4-(1,2,3,4-TETRAHYDROISOQUINOLINE-2-SULFONYL)BENZAMIDE
G837-0082 Screening compound: N-(4-METHOXY-1,3-BENZOTHIAZOL-2-YL)-4-(1,2,3,4-TETRAHYDROISOQUINOLINE-2-SULFONYL)BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound G837-0082
N-(4-METHOXY-1,3-BENZOTHIAZOL-2-YL)-4-(1,2,3,4-TETRAHYDROISOQUINOLINE-2-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

G837-0082

Molecular Formula

C24H21N3O4S2 (C24 H21 N3 O4 S2)

Compound Name

N-(4-METHOXY-1,3-BENZOTHIAZOL-2-YL)-4-(1,2,3,4-TETRAHYDROISOQUINOLINE-2-SULFONYL)BENZAMIDE

IUPAC name

n/a

SMILES

COc1cccc2c1nc(NC(c(cc1)ccc1S(N(CC1)Cc3c1cccc3)(=O)=O)=O)s2

InChI

InChI=1S/C24H21N3O4S2/c1-31-20-7-4-8-21-22(20)25-24(32-21)26-23(28)17-9-11-19(12-10-17)33(29,30)27-14-13-16-5-2-3-6-18(16)15-27/h2-12H,13-15H2,1H3,(H,25,26,28)

InChI Key

RUKMKGJYUVHWCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04422715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

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

4.891

Distribution Coefficient, logD

4.889

Water Solubility, LogSw

-4.58

Polar Surface Area

72.865

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G837-0082 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 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 G837-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G837-0082?
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What is the minimum amount of G837-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G837-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G837-0082
  • 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 G837-0082 available by request