J034-1155 Screening compound: N-{1-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-4-methoxyaniline

J034-1155 Screening compound: N-{1-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-4-methoxyaniline
J034-1155 Screening compound: N-{1-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-4-methoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-1155
N-{1-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-4-methoxyaniline

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

J034-1155

Molecular Formula

C19H20ClN5O (C19 H20 ClN5 O)

Compound Name

N-{1-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-4-methoxyaniline

IUPAC name

N-{1-[1-(4-chlorophenyl)-1H-1234-tetrazol-5-yl]cyclopentyl}-4-methoxyaniline

SMILES

COc(cc1)ccc1NC1(CCCC1)c1nnnn1-c(cc1)ccc1Cl

InChI

InChI=1S/C19H20ClN5O/c1-26-17-10-6-15(7-11-17)21-19(12-2-3-13-19)18-22-23-24-25(18)16-8-4-14(20)5-9-16/h4-11,21H,2-3,12-13H2,1H3

InChI Key

GGWFLWFWDVRTKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.566

Distribution Coefficient, logD

4.566

Water Solubility, LogSw

-4.65

Polar Surface Area

57.215

Acid Dissociation Constant (pKa)

21.37

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

J034-1155 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 J034-1155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1155?
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What is the minimum amount of J034-1155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1155
  • 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 J034-1155 available by request