J034-0696 Screening compound: 1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]-N-(2-phenylethyl)cyclohexan-1-amine

J034-0696 Screening compound: 1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]-N-(2-phenylethyl)cyclohexan-1-amine
J034-0696 Screening compound: 1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]-N-(2-phenylethyl)cyclohexan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0696
1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]-N-(2-phenylethyl)cyclohexan-1-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

J034-0696

Molecular Formula

C23H29N5 (C23 H29 N5)

Compound Name

1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]-N-(2-phenylethyl)cyclohexan-1-amine

IUPAC name

1-[1-(26-dimethylphenyl)-1H-1234-tetrazol-5-yl]-N-(2-phenylethyl)cyclohexan-1-amine

SMILES

Cc1cccc(C)c1-n1nnnc1C1(CCCCC1)NCCc1ccccc1

InChI

InChI=1S/C23H29N5/c1-18-10-9-11-19(2)21(18)28-22(25-26-27-28)23(15-7-4-8-16-23)24-17-14-20-12-5-3-6-13-20/h3,5-6,9-13,24H,4,7-8,14-17H2,1-2H3

InChI Key

AYBGJDZDERDSEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-4.47

Polar Surface Area

49.867

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

J034-0696 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J034-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0696?
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What is the minimum amount of J034-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0696
  • 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 J034-0696 available by request