J034-1111 Screening compound: N-{2-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-2,3-dihydro-1,4-benzodioxin-6-amine

J034-1111 Screening compound: N-{2-[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-2,3-dihydro-1,4-benzodioxin-6-amine
J034-1111 Screening compound: N-{2-[1-(4-chlorophenyl)-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 J034-1111
N-{2-[1-(4-chlorophenyl)-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

J034-1111

Molecular Formula

C18H18ClN5O2 (C18 H18 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(c1nnnn1-c(cc1)ccc1Cl)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C18H18ClN5O2/c1-18(2,20-13-5-8-15-16(11-13)26-10-9-25-15)17-21-22-23-24(17)14-6-3-12(19)4-7-14/h3-8,11,20H,9-10H2,1-2H3

InChI Key

DZLDDMGDURYOMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.83

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

3.063

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.56

Polar Surface Area

64.649

Acid Dissociation Constant (pKa)

19.59

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

J034-1111 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J034-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1111?
Check Price and Availability of J034-1111, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J034-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1111
  • 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 J034-1111 available by request