J034-0867 Screening compound: N-[1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)cyclohexyl]-2H-1,3-benzodioxol-5-amine

J034-0867 Screening compound: N-[1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)cyclohexyl]-2H-1,3-benzodioxol-5-amine
J034-0867 Screening compound: N-[1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)cyclohexyl]-2H-1,3-benzodioxol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0867
N-[1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)cyclohexyl]-2H-1,3-benzodioxol-5-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

J034-0867

Molecular Formula

C20H21N5O2 (C20 H21 N5 O2)

Compound Name

N-[1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)cyclohexyl]-2H-1,3-benzodioxol-5-amine

IUPAC name

N-[1-(1-phenyl-1H-1234-tetrazol-5-yl)cyclohexyl]-2H-13-benzodioxol-5-amine

SMILES

C1Oc(cc(cc2)NC3(CCCCC3)c3nnnn3-c3ccccc3)c2O1

InChI

InChI=1S/C20H21N5O2/c1-3-7-16(8-4-1)25-19(22-23-24-25)20(11-5-2-6-12-20)21-15-9-10-17-18(13-15)27-14-26-17/h1,3-4,7-10,13,21H,2,5-6,11-12,14H2

InChI Key

NMZGHGPMQVGIJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

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

4.145

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.28

Polar Surface Area

66.421

Acid Dissociation Constant (pKa)

19.73

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

J034-0867 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J034-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0867?
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What is the minimum amount of J034-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0867
  • 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 J034-0867 available by request