G795-0198 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide

G795-0198 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide
G795-0198 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G795-0198
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide

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

G795-0198

Molecular Formula

C23H17N3O4S (C23 H17 N3 O4 S)

Compound Name

N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide

IUPAC name

N-(3-{[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-12-benzothiazole-3-carboxamide

SMILES

O=C(c1nsc2c1cccc2)Nc1cc(C(NCc(cc2)cc3c2OCO3)=O)ccc1

InChI

InChI=1S/C23H17N3O4S/c27-22(24-12-14-8-9-18-19(10-14)30-13-29-18)15-4-3-5-16(11-15)25-23(28)21-17-6-1-2-7-20(17)31-26-21/h1-11H,12-13H2,(H,24,27)(H,25,28)

InChI Key

OHSLOKKKAHHBKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27159631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.434

Distribution Coefficient, logD

4.434

Water Solubility, LogSw

-4.47

Polar Surface Area

75.849

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

G795-0198 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G795-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G795-0198?
Check Price and Availability of G795-0198, 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 G795-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G795-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G795-0198
  • 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 G795-0198 available by request