F235-1450 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetamide

F235-1450 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetamide
F235-1450 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1450
N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetamide

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

F235-1450

Molecular Formula

C19H15ClF3N3OS (C19 H15 ClF3 N3 OS)

Compound Name

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

IUPAC name

N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(trifluoromethyl)-5H6H7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetamide

SMILES

N#Cc1c(C(F)(F)F)c(CCC2)c2nc1SCC(NCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H15ClF3N3OS/c20-12-6-4-11(5-7-12)9-25-16(27)10-28-18-14(8-24)17(19(21,22)23)13-2-1-3-15(13)26-18/h4-7H,1-3,9-10H2,(H,25,27)

InChI Key

NMLUQDOLXYBGGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03697923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.86

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

4.487

Distribution Coefficient, logD

4.487

Water Solubility, LogSw

-5.02

Polar Surface Area

52.029

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

F235-1450 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F235-1450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1450?
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What is the minimum amount of F235-1450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1450
  • 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 F235-1450 available by request