G856-7001 Screening compound: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]cyclohexanecarboxamide

G856-7001 Screening compound: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]cyclohexanecarboxamide
G856-7001 Screening compound: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-7001
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]cyclohexanecarboxamide

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

G856-7001

Molecular Formula

C20H20FN3OS (C20 H20 FN3 OS)

Compound Name

N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]cyclohexanecarboxamide

IUPAC name

N-(4-fluoro-13-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)N(Cc1cnccc1)c1nc(c(F)ccc2)c2s1

InChI

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

InChI Key

GXJRMJMWPQCOSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06715943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.719

Distribution Coefficient, logD

4.715

Water Solubility, LogSw

-4.47

Polar Surface Area

35.605

Acid Dissociation Constant (pKa)

21.28

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G856-7001 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 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
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G856-7001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-7001?
Check Price and Availability of G856-7001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G856-7001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-7001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-7001
  • 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 G856-7001 available by request