G837-0046 Screening compound: N-(1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide

G837-0046 Screening compound: N-(1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide
G837-0046 Screening compound: N-(1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G837-0046
N-(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

G837-0046

Molecular Formula

C23H19N3O3S2 (C23 H19 N3 O3 S2)

Compound Name

N-(1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide

IUPAC name

N-(13-benzothiazol-2-yl)-4-(1234-tetrahydroisoquinoline-2-sulfonyl)benzamide

SMILES

O=C(c(cc1)ccc1S(N(CC1)Cc2c1cccc2)(=O)=O)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C23H19N3O3S2/c27-22(25-23-24-20-7-3-4-8-21(20)30-23)17-9-11-19(12-10-17)31(28,29)26-14-13-16-5-1-2-6-18(16)15-26/h1-12H,13-15H2,(H,24,25,27)

InChI Key

BMYKZQDJVYLKJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04409713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

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

5.021

Water Solubility, LogSw

-4.91

Polar Surface Area

64.464

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G837-0046 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G837-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G837-0046?
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What is the minimum amount of G837-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G837-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G837-0046
  • 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 G837-0046 available by request