J034-1115 Screening compound: {2-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}(methyl)amine

J034-1115 Screening compound: {2-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}(methyl)amine
J034-1115 Screening compound: {2-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}(methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-1115
{2-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}(methyl)amine

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

J034-1115

Molecular Formula

C12H16ClN5 (C12 H16 ClN5)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)(c1nnnn1-c(cc1)ccc1Cl)NC

InChI

InChI=1S/C12H16ClN5/c1-4-12(2,14-3)11-15-16-17-18(11)10-7-5-9(13)6-8-10/h5-8,14H,4H2,1-3H3/t12-/m0/s1

InChI Key

QSBOZNGMGDHJAE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02648775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.746

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.33

Polar Surface Area

51.037

Acid Dissociation Constant (pKa)

22.93

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

J034-1115 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J034-1115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1115?
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What is the minimum amount of J034-1115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1115
  • 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 J034-1115 available by request