J034-0068 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-4-methylaniline

J034-0068 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-4-methylaniline
J034-0068 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-4-methylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0068
N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-4-methylaniline

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

J034-0068

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

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

IUPAC name

N-{1-[1-(34-dimethoxyphenyl)-1H-1234-tetrazol-5-yl]cyclopentyl}-4-methylaniline

SMILES

Cc(cc1)ccc1NC1(CCCC1)c1nnnn1-c(cc1)cc(OC)c1OC

InChI

InChI=1S/C21H25N5O2/c1-15-6-8-16(9-7-15)22-21(12-4-5-13-21)20-23-24-25-26(20)17-10-11-18(27-2)19(14-17)28-3/h6-11,14,22H,4-5,12-13H2,1-3H3

InChI Key

RBWNYVIOWCATKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.10

Polar Surface Area

64.932

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

J034-0068 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J034-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0068?
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What is the minimum amount of J034-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0068
  • 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 J034-0068 available by request