J034-0020 Screening compound: N-{2-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-4-(propan-2-yl)aniline

J034-0020 Screening compound: N-{2-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-4-(propan-2-yl)aniline
J034-0020 Screening compound: N-{2-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-4-(propan-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0020
N-{2-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-4-(propan-2-yl)aniline

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

J034-0020

Molecular Formula

C21H27N5O2 (C21 H27 N5 O2)

Compound Name

N-{2-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-4-(propan-2-yl)aniline

IUPAC name

N-{2-[1-(34-dimethoxyphenyl)-1H-1234-tetrazol-5-yl]propan-2-yl}-4-(propan-2-yl)aniline

SMILES

CC(C)c(cc1)ccc1NC(C)(C)c1nnnn1-c(cc1)cc(OC)c1OC

InChI

InChI=1S/C21H27N5O2/c1-14(2)15-7-9-16(10-8-15)22-21(3,4)20-23-24-25-26(20)17-11-12-18(27-5)19(13-17)28-6/h7-14,22H,1-6H3

InChI Key

XGTMXCFNJWJDQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.486

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.40

Polar Surface Area

64.087

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

J034-0020 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J034-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0020?
Check Price and Availability of J034-0020, 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 J034-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0020
  • 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 J034-0020 available by request