8006-4502 Screening compound: 2-{[3-cyano-6-thien-2-yl-4-(trifluoromethyl)pyridin-2-yl]thio}-N-cyclopropylacetamide

8006-4502 Screening compound: 2-{[3-cyano-6-thien-2-yl-4-(trifluoromethyl)pyridin-2-yl]thio}-N-cyclopropylacetamide
8006-4502 Screening compound: 2-{[3-cyano-6-thien-2-yl-4-(trifluoromethyl)pyridin-2-yl]thio}-N-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4502
2-{[3-cyano-6-thien-2-yl-4-(trifluoromethyl)pyridin-2-yl]thio}-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

8006-4502

Molecular Formula

C16H12F3N3OS2 (C16 H12 F3 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(c(C(F)(F)F)cc(-c1cccs1)n1)c1SCC(NC1CC1)=O

InChI

InChI=1S/C16H12F3N3OS2/c17-16(18,19)11-6-12(13-2-1-5-24-13)22-15(10(11)7-20)25-8-14(23)21-9-3-4-9/h1-2,5-6,9H,3-4,8H2,(H,21,23)

InChI Key

REQGVWXSAZSUTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.007

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-4.43

Polar Surface Area

51.045

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 8006-4502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4502?
Check Price and Availability of 8006-4502, 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 8006-4502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4502
  • 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 8006-4502 available by request