J034-1347 Screening compound: N-{1-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-2-methoxyaniline

J034-1347 Screening compound: N-{1-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-2-methoxyaniline
J034-1347 Screening compound: N-{1-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-2-methoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-1347
N-{1-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-2-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

J034-1347

Molecular Formula

C23H29N5O (C23 H29 N5 O)

Compound Name

N-{1-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-2-methoxyaniline

IUPAC name

N-{1-[1-(2-ethyl-6-methylphenyl)-1H-1234-tetrazol-5-yl]cyclohexyl}-2-methoxyaniline

SMILES

CCc(cccc1C)c1-n1nnnc1C1(CCCCC1)Nc(cccc1)c1OC

InChI

InChI=1S/C23H29N5O/c1-4-18-12-10-11-17(2)21(18)28-22(25-26-27-28)23(15-8-5-9-16-23)24-19-13-6-7-14-20(19)29-3/h6-7,10-14,24H,4-5,8-9,15-16H2,1-3H3

InChI Key

WBQYSVBBQQZWPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.52

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

5.713

Distribution Coefficient, logD

5.713

Water Solubility, LogSw

-5.40

Polar Surface Area

55.636

Acid Dissociation Constant (pKa)

19.59

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

J034-1347 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J034-1347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1347?
Check Price and Availability of J034-1347, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J034-1347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1347
  • 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 J034-1347 available by request