8006-4500 Screening compound: 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-cyclopropylacetamide

8006-4500 Screening compound: 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-cyclopropylacetamide
8006-4500 Screening compound: 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4500
2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-cyclopropylacetamide

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

8006-4500

Molecular Formula

C13H12F3N3OS (C13 H12 F3 N3 OS)

Compound Name

2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-cyclopropylacetamide

IUPAC name

2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-cyclopropylacetamide

SMILES

Cc(nc1SCC(NC2CC2)=O)cc(C(F)(F)F)c1C#N

InChI

InChI=1S/C13H12F3N3OS/c1-7-4-10(13(14,15)16)9(5-17)12(18-7)21-6-11(20)19-8-2-3-8/h4,8H,2-3,6H2,1H3,(H,19,20)

InChI Key

HGVSQFGLYVSKKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.321

Distribution Coefficient, logD

2.321

Water Solubility, LogSw

-2.65

Polar Surface Area

50.105

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

8006-4500 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8006-4500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4500?
Check Price and Availability of 8006-4500, 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 8006-4500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4500
  • 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 8006-4500 available by request