J034-1350 Screening compound: 1-{1-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-(furan-2-carbonyl)piperazine

J034-1350 Screening compound: 1-{1-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-(furan-2-carbonyl)piperazine
J034-1350 Screening compound: 1-{1-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-(furan-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-1350
1-{1-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-(furan-2-carbonyl)piperazine

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

J034-1350

Molecular Formula

C25H32N6O2 (C25 H32 N6 O2)

Compound Name

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

IUPAC name

1-{1-[1-(2-ethyl-6-methylphenyl)-1H-1234-tetrazol-5-yl]cyclohexyl}-4-(furan-2-carbonyl)piperazine

SMILES

CCc(cccc1C)c1-n1nnnc1C1(CCCCC1)N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C25H32N6O2/c1-3-20-10-7-9-19(2)22(20)31-24(26-27-28-31)25(12-5-4-6-13-25)30-16-14-29(15-17-30)23(32)21-11-8-18-33-21/h7-11,18H,3-6,12-17H2,1-2H3

InChI Key

FMIXDNQETXVLNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.794

Water Solubility, LogSw

-4.43

Polar Surface Area

67.009

Acid Dissociation Constant (pKa)

23.42

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

J034-1350 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 J034-1350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1350?
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What is the minimum amount of J034-1350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1350
  • 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 J034-1350 available by request