J034-1733 Screening compound: 4-methoxy-N-{2-[1-(4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}aniline

J034-1733 Screening compound: 4-methoxy-N-{2-[1-(4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}aniline
J034-1733 Screening compound: 4-methoxy-N-{2-[1-(4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-1733
4-methoxy-N-{2-[1-(4-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

J034-1733

Molecular Formula

C19H23N5O (C19 H23 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)(c1nnnn1-c1ccc(C)cc1)Nc(cc1)ccc1OC

InChI

InChI=1S/C19H23N5O/c1-5-19(3,20-15-8-12-17(25-4)13-9-15)18-21-22-23-24(18)16-10-6-14(2)7-11-16/h6-13,20H,5H2,1-4H3/t19-/m0/s1

InChI Key

NEQPYRRNZPUNAQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD13369820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

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

4.507

Distribution Coefficient, logD

4.507

Water Solubility, LogSw

-4.22

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

31.60

J034-1733 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with J034-1733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1733?
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What is the minimum amount of J034-1733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1733
  • 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 J034-1733 available by request