V004-3402 Screening compound: N-{3-[3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide

V004-3402 Screening compound: N-{3-[3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide
V004-3402 Screening compound: N-{3-[3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3402
N-{3-[3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide

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

V004-3402

Molecular Formula

C25H29F3N4O3 (C25 H29 F3 N4 O3)

Compound Name

N-{3-[3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide

IUPAC name

N-{3-[3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl]phenyl}-33-dimethylbutanamide

SMILES

CCOCCOc(nc1-c2cccc(C(F)(F)F)c2)nn1-c1cc(NC(CC(C)(C)C)=O)ccc1

InChI

InChI=1S/C25H29F3N4O3/c1-5-34-12-13-35-23-30-22(17-8-6-9-18(14-17)25(26,27)28)32(31-23)20-11-7-10-19(15-20)29-21(33)16-24(2,3)4/h6-11,14-15H,5,12-13,16H2,1-4H3,(H,29,33)

InChI Key

ZIWYORRUCKMVKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19783430

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

490.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.120

Distribution Coefficient, logD

6.120

Water Solubility, LogSw

-5.58

Polar Surface Area

62.235

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V004-3402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3402?
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What is the minimum amount of V004-3402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3402
  • 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 V004-3402 available by request