J034-1445 Screening compound: 3,4-dimethoxy-N-(2-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}butan-2-yl)aniline

J034-1445 Screening compound: 3,4-dimethoxy-N-(2-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}butan-2-yl)aniline
J034-1445 Screening compound: 3,4-dimethoxy-N-(2-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}butan-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-1445
3,4-dimethoxy-N-(2-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}butan-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

J034-1445

Molecular Formula

C20H22F3N5O2 (C20 H22 F3 N5 O2)

Compound Name

3,4-dimethoxy-N-(2-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}butan-2-yl)aniline

IUPAC name

34-dimethoxy-N-(2-{1-[3-(trifluoromethyl)phenyl]-1H-1234-tetrazol-5-yl}butan-2-yl)aniline

SMILES

CCC(C)(c1nnnn1-c1cccc(C(F)(F)F)c1)Nc(cc1)cc(OC)c1OC

InChI

InChI=1S/C20H22F3N5O2/c1-5-19(2,24-14-9-10-16(29-3)17(12-14)30-4)18-25-26-27-28(18)15-8-6-7-13(11-15)20(21,22)23/h6-12,24H,5H2,1-4H3/t19-/m0/s1

InChI Key

GPSDZMRSYOJUIL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27221458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.487

Distribution Coefficient, logD

4.487

Water Solubility, LogSw

-4.38

Polar Surface Area

64.554

Acid Dissociation Constant (pKa)

19.99

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

J034-1445 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J034-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1445?
Check Price and Availability of J034-1445, 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 J034-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1445
  • 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 J034-1445 available by request