J034-0636 Screening compound: 1-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-4-(furan-2-carbonyl)piperazine

J034-0636 Screening compound: 1-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-4-(furan-2-carbonyl)piperazine
J034-0636 Screening compound: 1-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-4-(furan-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0636
1-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-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

J034-0636

Molecular Formula

C21H26N6O2 (C21 H26 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H26N6O2/c1-15-7-5-8-16(2)18(15)27-20(22-23-24-27)21(3,4)26-12-10-25(11-13-26)19(28)17-9-6-14-29-17/h5-9,14H,10-13H2,1-4H3

InChI Key

SNIWAEPUWUPACT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.822

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-2.76

Polar Surface Area

67.779

Acid Dissociation Constant (pKa)

25.78

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

J034-0636 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 J034-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0636?
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What is the minimum amount of J034-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0636
  • 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 J034-0636 available by request