J034-0657 Screening compound: N-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-3,4-dimethoxyaniline

J034-0657 Screening compound: N-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-3,4-dimethoxyaniline
J034-0657 Screening compound: N-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-3,4-dimethoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0657
N-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-3,4-dimethoxyaniline

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

J034-0657

Molecular Formula

C21H27N5O2 (C21 H27 N5 O2)

Compound Name

N-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-3,4-dimethoxyaniline

IUPAC name

N-{2-[1-(26-dimethylphenyl)-1H-1234-tetrazol-5-yl]butan-2-yl}-34-dimethoxyaniline

SMILES

CCC(C)(c1nnnn1-c1c(C)cccc1C)Nc(cc1)cc(OC)c1OC

InChI

InChI=1S/C21H27N5O2/c1-7-21(4,22-16-11-12-17(27-5)18(13-16)28-6)20-23-24-25-26(20)19-14(2)9-8-10-15(19)3/h8-13,22H,7H2,1-6H3/t21-/m0/s1

InChI Key

GGHFERSXVXUFAB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD13369834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.346

Distribution Coefficient, logD

4.346

Water Solubility, LogSw

-4.40

Polar Surface Area

63.952

Acid Dissociation Constant (pKa)

19.99

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

J034-0657 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with J034-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0657?
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What is the minimum amount of J034-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0657
  • 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 J034-0657 available by request