F235-1449 Screening compound: 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N,N-diethylacetamide

F235-1449 Screening compound: 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N,N-diethylacetamide
F235-1449 Screening compound: 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1449
2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N,N-diethylacetamide

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

F235-1449

Molecular Formula

C16H18F3N3OS (C16 H18 F3 N3 OS)

Compound Name

2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N,N-diethylacetamide

IUPAC name

2-{[3-cyano-4-(trifluoromethyl)-5H6H7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-NN-diethylacetamide

SMILES

CCN(CC)C(CSc1nc(CCC2)c2c(C(F)(F)F)c1C#N)=O

InChI

InChI=1S/C16H18F3N3OS/c1-3-22(4-2)13(23)9-24-15-11(8-20)14(16(17,18)19)10-6-5-7-12(10)21-15/h3-7,9H2,1-2H3

InChI Key

IUIAVDFHJJYZJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03697934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.4

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

3.354

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.64

Polar Surface Area

43.234

Acid Dissociation Constant (pKa)

17.54

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

F235-1449 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F235-1449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1449?
Check Price and Availability of F235-1449, 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 F235-1449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1449
  • 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 F235-1449 available by request