J034-0663 Screening compound: 1-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-4-(furan-2-carbonyl)piperazine

J034-0663 Screening compound: 1-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-4-(furan-2-carbonyl)piperazine
J034-0663 Screening compound: 1-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-4-(furan-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0663
1-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-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

J034-0663

Molecular Formula

C22H28N6O2 (C22 H28 N6 O2)

Compound Name

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

IUPAC name

1-{2-[1-(26-dimethylphenyl)-1H-1234-tetrazol-5-yl]butan-2-yl}-4-(furan-2-carbonyl)piperazine

SMILES

CCC(C)(c1nnnn1-c1c(C)cccc1C)N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C22H28N6O2/c1-5-22(4,21-23-24-25-28(21)19-16(2)8-6-9-17(19)3)27-13-11-26(12-14-27)20(29)18-10-7-15-30-18/h6-10,15H,5,11-14H2,1-4H3/t22-/m0/s1

InChI Key

BYGATCFOMWTSDS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD13369559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

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

3.490

Distribution Coefficient, logD

3.490

Water Solubility, LogSw

-3.32

Polar Surface Area

67.364

Acid Dissociation Constant (pKa)

25.78

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

J034-0663 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with J034-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0663?
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What is the minimum amount of J034-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0663
  • 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 J034-0663 available by request