J034-1128 Screening compound: N-{2-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-4-methoxyaniline

J034-1128 Screening compound: N-{2-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-4-methoxyaniline
J034-1128 Screening compound: N-{2-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-4-methoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-1128
N-{2-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-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

J034-1128

Molecular Formula

C18H20ClN5O (C18 H20 ClN5 O)

Compound Name

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

IUPAC name

N-{2-[1-(4-chlorophenyl)-1H-1234-tetrazol-5-yl]butan-2-yl}-4-methoxyaniline

SMILES

CCC(C)(c1nnnn1-c(cc1)ccc1Cl)Nc(cc1)ccc1OC

InChI

InChI=1S/C18H20ClN5O/c1-4-18(2,20-14-7-11-16(25-3)12-8-14)17-21-22-23-24(17)15-9-5-13(19)6-10-15/h5-12,20H,4H2,1-3H3/t18-/m0/s1

InChI Key

SPVAIOJVIKNVQU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27221427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.678

Distribution Coefficient, logD

4.678

Water Solubility, LogSw

-4.73

Polar Surface Area

56.837

Acid Dissociation Constant (pKa)

20.97

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

J034-1128 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 J034-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1128?
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What is the minimum amount of J034-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1128
  • 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 J034-1128 available by request