G795-0594 Screening compound: N-(2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide

G795-0594 Screening compound: N-(2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide
G795-0594 Screening compound: N-(2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G795-0594
N-(2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-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

G795-0594

Molecular Formula

C24H25N5O2S (C24 H25 N5 O2 S)

Compound Name

N-(2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide

IUPAC name

N-(2-{[2-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}phenyl)-12-benzothiazole-3-carboxamide

SMILES

CCn1nc(C)c(CCNC(c(cccc2)c2NC(c2nsc3c2cccc3)=O)=O)c1C

InChI

InChI=1S/C24H25N5O2S/c1-4-29-16(3)17(15(2)27-29)13-14-25-23(30)18-9-5-7-11-20(18)26-24(31)22-19-10-6-8-12-21(19)32-28-22/h5-12H,4,13-14H2,1-3H3,(H,25,30)(H,26,31)

InChI Key

IBCHYONKTAVRBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27159805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.551

Distribution Coefficient, logD

3.550

Water Solubility, LogSw

-3.83

Polar Surface Area

72.155

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G795-0594 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with G795-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G795-0594?
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What is the minimum amount of G795-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G795-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G795-0594
  • 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 G795-0594 available by request