G795-0030 Screening compound: N-(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide

G795-0030 Screening compound: N-(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide
G795-0030 Screening compound: N-(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G795-0030
N-(4-{[2-(cyclohex-1-en-1-yl)ethyl]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

G795-0030

Molecular Formula

C23H23N3O2S (C23 H23 N3 O2 S)

Compound Name

N-(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide

IUPAC name

N-(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-12-benzothiazole-3-carboxamide

SMILES

O=C(c1nsc2c1cccc2)Nc(cc1)ccc1C(NCCC1=CCCCC1)=O

InChI

InChI=1S/C23H23N3O2S/c27-22(24-15-14-16-6-2-1-3-7-16)17-10-12-18(13-11-17)25-23(28)21-19-8-4-5-9-20(19)29-26-21/h4-6,8-13H,1-3,7,14-15H2,(H,24,27)(H,25,28)

InChI Key

DLEMZYGKOSWABS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.37

Polar Surface Area

58.767

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G795-0030 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with G795-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G795-0030?
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What is the minimum amount of G795-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G795-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G795-0030
  • 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 G795-0030 available by request