J034-0054 Screening compound: 1-{2-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-4-(furan-2-carbonyl)piperazine

J034-0054 Screening compound: 1-{2-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-4-(furan-2-carbonyl)piperazine
J034-0054 Screening compound: 1-{2-[1-(3,4-dimethoxyphenyl)-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 J034-0054
1-{2-[1-(3,4-dimethoxyphenyl)-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

J034-0054

Molecular Formula

C22H28N6O4 (C22 H28 N6 O4)

Compound Name

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

IUPAC name

1-{2-[1-(34-dimethoxyphenyl)-1H-1234-tetrazol-5-yl]butan-2-yl}-4-(furan-2-carbonyl)piperazine

SMILES

CCC(C)(c1nnnn1-c(cc1)cc(OC)c1OC)N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C22H28N6O4/c1-5-22(2,27-12-10-26(11-13-27)20(29)18-7-6-14-32-18)21-23-24-25-28(21)16-8-9-17(30-3)19(15-16)31-4/h6-9,14-15H,5,10-13H2,1-4H3/t22-/m0/s1

InChI Key

LOWHJACAVQUKAM-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27221346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.433

Distribution Coefficient, logD

2.433

Water Solubility, LogSw

-2.61

Polar Surface Area

83.226

Acid Dissociation Constant (pKa)

28.11

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

J034-0054 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 J034-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0054?
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What is the minimum amount of J034-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0054
  • 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 J034-0054 available by request