J034-0190 Screening compound: 4-chloro-N-{2-[1-(2-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}aniline

J034-0190 Screening compound: 4-chloro-N-{2-[1-(2-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}aniline
J034-0190 Screening compound: 4-chloro-N-{2-[1-(2-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0190
4-chloro-N-{2-[1-(2-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}aniline

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

J034-0190

Molecular Formula

C18H20ClN5 (C18 H20 ClN5)

Compound Name

4-chloro-N-{2-[1-(2-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}aniline

IUPAC name

4-chloro-N-{2-[1-(2-methylphenyl)-1H-1234-tetrazol-5-yl]butan-2-yl}aniline

SMILES

CCC(C)(c1nnnn1-c1c(C)cccc1)Nc(cc1)ccc1Cl

InChI

InChI=1S/C18H20ClN5/c1-4-18(3,20-15-11-9-14(19)10-12-15)17-21-22-23-24(17)16-8-6-5-7-13(16)2/h5-12,20H,4H2,1-3H3/t18-/m0/s1

InChI Key

LTHKORZOUBYYEG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27221365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.080

Distribution Coefficient, logD

5.080

Water Solubility, LogSw

-5.24

Polar Surface Area

48.992

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

J034-0190 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 J034-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0190?
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What is the minimum amount of J034-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0190
  • 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 J034-0190 available by request