G795-0061 Screening compound: N-[4-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide

G795-0061 Screening compound: N-[4-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
G795-0061 Screening compound: N-[4-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G795-0061
N-[4-({[4-(propan-2-yloxy)phenyl]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

G795-0061

Molecular Formula

C25H23N3O3S (C25 H23 N3 O3 S)

Compound Name

N-[4-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide

IUPAC name

N-[4-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-12-benzothiazole-3-carboxamide

SMILES

CC(C)Oc1ccc(CNC(c(cc2)ccc2NC(c2nsc3c2cccc3)=O)=O)cc1

InChI

InChI=1S/C25H23N3O3S/c1-16(2)31-20-13-7-17(8-14-20)15-26-24(29)18-9-11-19(12-10-18)27-25(30)23-21-5-3-4-6-22(21)32-28-23/h3-14,16H,15H2,1-2H3,(H,26,29)(H,27,30)

InChI Key

ZKMPDBMTHUKVRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.886

Distribution Coefficient, logD

4.886

Water Solubility, LogSw

-4.70

Polar Surface Area

65.536

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G795-0061 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Immunological Library (6760 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Immune system

References: we are preparing a list of scientific research reports with G795-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G795-0061?
Check Price and Availability of G795-0061, 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 G795-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G795-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G795-0061
  • 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 G795-0061 available by request