G856-0046 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3,5-dimethoxybenzamide

G856-0046 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3,5-dimethoxybenzamide
G856-0046 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0046
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3,5-dimethoxybenzamide

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

G856-0046

Molecular Formula

C22H18N2O4S (C22 H18 N2 O4 S)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3,5-dimethoxybenzamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)-4-hydroxyphenyl]-35-dimethoxybenzamide

SMILES

COc1cc(C(Nc(cc2)cc(-c3nc(cccc4)c4s3)c2O)=O)cc(OC)c1

InChI

InChI=1S/C22H18N2O4S/c1-27-15-9-13(10-16(12-15)28-2)21(26)23-14-7-8-19(25)17(11-14)22-24-18-5-3-4-6-20(18)29-22/h3-12,25H,1-2H3,(H,23,26)

InChI Key

KBOUTCVWJQBTNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00474495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.747

Distribution Coefficient, logD

5.746

Water Solubility, LogSw

-5.26

Polar Surface Area

64.414

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

G856-0046 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G856-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0046?
Check Price and Availability of G856-0046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G856-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0046
  • 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 G856-0046 available by request