G795-0421 Screening compound: N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl}-1,2-benzothiazole-3-carboxamide

G795-0421 Screening compound: N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl}-1,2-benzothiazole-3-carboxamide
G795-0421 Screening compound: N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl}-1,2-benzothiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G795-0421
N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl}-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

G795-0421

Molecular Formula

C26H23FN4O2S (C26 H23 FN4 O2 S)

Compound Name

N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl}-1,2-benzothiazole-3-carboxamide

IUPAC name

N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl}-12-benzothiazole-3-carboxamide

SMILES

Cc(ccc(C(N(CC1)CCN1c(cc1)ccc1F)=O)c1)c1NC(c1nsc2c1cccc2)=O

InChI

InChI=1S/C26H23FN4O2S/c1-17-6-7-18(16-22(17)28-25(32)24-21-4-2-3-5-23(21)34-29-24)26(33)31-14-12-30(13-15-31)20-10-8-19(27)9-11-20/h2-11,16H,12-15H2,1H3,(H,28,32)

InChI Key

XMLNDCZURFXIJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27159763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.617

Distribution Coefficient, logD

4.617

Water Solubility, LogSw

-4.27

Polar Surface Area

53.531

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

G795-0421 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with G795-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G795-0421?
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What is the minimum amount of G795-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G795-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G795-0421
  • 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 G795-0421 available by request