J034-0980 Screening compound: N-{2-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-2,3-dihydro-1,4-benzodioxin-6-amine

J034-0980 Screening compound: N-{2-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-2,3-dihydro-1,4-benzodioxin-6-amine
J034-0980 Screening compound: N-{2-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}-2,3-dihydro-1,4-benzodioxin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0980
N-{2-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-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

J034-0980

Molecular Formula

C20H23N5O3 (C20 H23 N5 O3)

Compound Name

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

IUPAC name

N-{2-[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]butan-2-yl}-23-dihydro-14-benzodioxin-6-amine

SMILES

CCC(C)(c1nnnn1-c(cc1)ccc1OC)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H23N5O3/c1-4-20(2,21-14-5-10-17-18(13-14)28-12-11-27-17)19-22-23-24-25(19)15-6-8-16(26-3)9-7-15/h5-10,13,21H,4,11-12H2,1-3H3/t20-/m0/s1

InChI Key

KABIPWXBUPEXDV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27221409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

3.056

Water Solubility, LogSw

-3.26

Polar Surface Area

72.660

Acid Dissociation Constant (pKa)

19.99

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

J034-0980 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J034-0980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0980?
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What is the minimum amount of J034-0980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0980
  • 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 J034-0980 available by request