J034-1497 Screening compound: 3,4-dimethoxy-N-(1-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexyl)aniline

J034-1497 Screening compound: 3,4-dimethoxy-N-(1-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexyl)aniline
J034-1497 Screening compound: 3,4-dimethoxy-N-(1-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-1497
3,4-dimethoxy-N-(1-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexyl)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

J034-1497

Molecular Formula

C22H24F3N5O2 (C22 H24 F3 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(NC1(CCCCC1)c1nnnn1-c1cccc(C(F)(F)F)c1)c1)c1OC

InChI

InChI=1S/C22H24F3N5O2/c1-31-18-10-9-16(14-19(18)32-2)26-21(11-4-3-5-12-21)20-27-28-29-30(20)17-8-6-7-15(13-17)22(23,24)25/h6-10,13-14,26H,3-5,11-12H2,1-2H3

InChI Key

QXYRRYCYWAGJQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.46

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

4.820

Distribution Coefficient, logD

4.820

Water Solubility, LogSw

-4.61

Polar Surface Area

64.566

Acid Dissociation Constant (pKa)

19.73

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with J034-1497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1497?
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What is the minimum amount of J034-1497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1497
  • 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 J034-1497 available by request