J034-1462 Screening compound: N-[(furan-2-yl)methyl]-1-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclopentan-1-amine

J034-1462 Screening compound: N-[(furan-2-yl)methyl]-1-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclopentan-1-amine
J034-1462 Screening compound: N-[(furan-2-yl)methyl]-1-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclopentan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-1462
N-[(furan-2-yl)methyl]-1-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclopentan-1-amine

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

J034-1462

Molecular Formula

C18H18F3N5O (C18 H18 F3 N5 O)

Compound Name

N-[(furan-2-yl)methyl]-1-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclopentan-1-amine

IUPAC name

N-[(furan-2-yl)methyl]-1-{1-[3-(trifluoromethyl)phenyl]-1H-1234-tetrazol-5-yl}cyclopentan-1-amine

SMILES

FC(c1cc(-n2nnnc2C2(CCCC2)NCc2ccco2)ccc1)(F)F

InChI

InChI=1S/C18H18F3N5O/c19-18(20,21)13-5-3-6-14(11-13)26-16(23-24-25-26)17(8-1-2-9-17)22-12-15-7-4-10-27-15/h3-7,10-11,22H,1-2,8-9,12H2

InChI Key

OVNUWRGZVDNZMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.091

Distribution Coefficient, logD

4.090

Water Solubility, LogSw

-4.29

Polar Surface Area

58.742

Acid Dissociation Constant (pKa)

22.35

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

J034-1462 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J034-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1462?
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What is the minimum amount of J034-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1462
  • 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 J034-1462 available by request