G795-0576 Screening compound: N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-1,2-benzothiazole-3-carboxamide

G795-0576 Screening compound: N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-1,2-benzothiazole-3-carboxamide
G795-0576 Screening compound: N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-1,2-benzothiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G795-0576
N-{2-[(prop-2-en-1-yl)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

G795-0576

Molecular Formula

C18H15N3O2S (C18 H15 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

C=CCNC(c(cccc1)c1NC(c1nsc2c1cccc2)=O)=O

InChI

InChI=1S/C18H15N3O2S/c1-2-11-19-17(22)12-7-3-5-9-14(12)20-18(23)16-13-8-4-6-10-15(13)24-21-16/h2-10H,1,11H2,(H,19,22)(H,20,23)

InChI Key

JZHIOTGEAKIDNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27159792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.275

Distribution Coefficient, logD

3.275

Water Solubility, LogSw

-3.69

Polar Surface Area

58.149

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

G795-0576 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G795-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G795-0576?
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What is the minimum amount of G795-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G795-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G795-0576
  • 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 G795-0576 available by request