J034-0634 Screening compound: N-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-2,3-dihydro-1,4-benzodioxin-6-amine

J034-0634 Screening compound: N-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-2,3-dihydro-1,4-benzodioxin-6-amine
J034-0634 Screening compound: N-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-2,3-dihydro-1,4-benzodioxin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0634
N-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-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

J034-0634

Molecular Formula

C20H23N5O2 (C20 H23 N5 O2)

Compound Name

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

IUPAC name

N-{2-[1-(26-dimethylphenyl)-1H-1234-tetrazol-5-yl]propan-2-yl}-23-dihydro-14-benzodioxin-6-amine

SMILES

CC(C)(c1nnnn1-c1c(C)cccc1C)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H23N5O2/c1-13-6-5-7-14(2)18(13)25-19(22-23-24-25)20(3,4)21-15-8-9-16-17(12-15)27-11-10-26-16/h5-9,12,21H,10-11H2,1-4H3

InChI Key

OTPVUMKWCYSZSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.44

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

3.178

Distribution Coefficient, logD

3.178

Water Solubility, LogSw

-3.17

Polar Surface Area

64.047

Acid Dissociation Constant (pKa)

19.59

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

J034-0634 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with J034-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0634?
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What is the minimum amount of J034-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0634
  • 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 J034-0634 available by request