C797-0318 Screening compound: N-[(3-fluorophenyl)methyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide

C797-0318 Screening compound: N-[(3-fluorophenyl)methyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide
C797-0318 Screening compound: N-[(3-fluorophenyl)methyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0318
N-[(3-fluorophenyl)methyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-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

C797-0318

Molecular Formula

C20H20FN3OS (C20 H20 FN3 OS)

Compound Name

N-[(3-fluorophenyl)methyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

N-[(3-fluorophenyl)methyl]-2-(piperidin-1-yl)-13-benzothiazole-6-carboxamide

SMILES

O=C(c(cc1)cc2c1nc(N1CCCCC1)s2)NCc1cc(F)ccc1

InChI

InChI=1S/C20H20FN3OS/c21-16-6-4-5-14(11-16)13-22-19(25)15-7-8-17-18(12-15)26-20(23-17)24-9-2-1-3-10-24/h4-8,11-12H,1-3,9-10,13H2,(H,22,25)

InChI Key

SKWJYWRJMWRVJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.609

Distribution Coefficient, logD

4.608

Water Solubility, LogSw

-4.40

Polar Surface Area

37.640

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C797-0318 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 C797-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0318?
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What is the minimum amount of C797-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0318
  • 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 C797-0318 available by request