G856-7095 Screening compound: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)-N-[(pyridin-3-yl)methyl]propanamide

G856-7095 Screening compound: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)-N-[(pyridin-3-yl)methyl]propanamide
G856-7095 Screening compound: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)-N-[(pyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-7095
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)-N-[(pyridin-3-yl)methyl]propanamide

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

G856-7095

Molecular Formula

C22H17F2N3OS2 (C22 H17 F2 N3 OS2)

Compound Name

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)-N-[(pyridin-3-yl)methyl]propanamide

IUPAC name

N-(46-difluoro-13-benzothiazol-2-yl)-3-(phenylsulfanyl)-N-[(pyridin-3-yl)methyl]propanamide

SMILES

O=C(CCSc1ccccc1)N(Cc1cnccc1)c1nc(c(F)cc(F)c2)c2s1

InChI

InChI=1S/C22H17F2N3OS2/c23-16-11-18(24)21-19(12-16)30-22(26-21)27(14-15-5-4-9-25-13-15)20(28)8-10-29-17-6-2-1-3-7-17/h1-7,9,11-13H,8,10,14H2

InChI Key

FXQVZECCNOOVOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06717415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.205

Distribution Coefficient, logD

5.200

Water Solubility, LogSw

-5.12

Polar Surface Area

34.886

Acid Dissociation Constant (pKa)

20.70

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G856-7095 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G856-7095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-7095?
Check Price and Availability of G856-7095, 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 G856-7095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-7095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-7095
  • 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 G856-7095 available by request