J034-1165 Screening compound: N-{1-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-2,3-dihydro-1,4-benzodioxin-6-amine

J034-1165 Screening compound: N-{1-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-2,3-dihydro-1,4-benzodioxin-6-amine
J034-1165 Screening compound: N-{1-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-2,3-dihydro-1,4-benzodioxin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-1165
N-{1-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-2,3-dihydro-1,4-benzodioxin-6-amine

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

J034-1165

Molecular Formula

C20H20ClN5O2 (C20 H20 ClN5 O2)

Compound Name

N-{1-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}-2,3-dihydro-1,4-benzodioxin-6-amine

IUPAC name

N-{1-[1-(4-chlorophenyl)-1H-1234-tetrazol-5-yl]cyclopentyl}-23-dihydro-14-benzodioxin-6-amine

SMILES

Clc(cc1)ccc1-n1nnnc1C1(CCCC1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H20ClN5O2/c21-14-3-6-16(7-4-14)26-19(23-24-25-26)20(9-1-2-10-20)22-15-5-8-17-18(13-15)28-12-11-27-17/h3-8,13,22H,1-2,9-12H2

InChI Key

UXXRWKHJKIVMKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.86

Polar Surface Area

65.494

Acid Dissociation Constant (pKa)

20.39

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

J034-1165 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J034-1165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1165?
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What is the minimum amount of J034-1165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1165
  • 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 J034-1165 available by request