V026-5926 Screening compound: N-{[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-5-isoxazolyl]methyl}-N-[3-(trifluoromethyl)benzyl]-1-cyclopentanecarboxamide

V026-5926 Screening compound: N-{[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-5-isoxazolyl]methyl}-N-[3-(trifluoromethyl)benzyl]-1-cyclopentanecarboxamide
V026-5926 Screening compound: N-{[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-5-isoxazolyl]methyl}-N-[3-(trifluoromethyl)benzyl]-1-cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5926
N-{[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-5-isoxazolyl]methyl}-N-[3-(trifluoromethyl)benzyl]-1-cyclopentanecarboxamide

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

V026-5926

Molecular Formula

C25H25F3N2O4 (C25 H25 F3 N2 O4)

Compound Name

N-{[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-5-isoxazolyl]methyl}-N-[3-(trifluoromethyl)benzyl]-1-cyclopentanecarboxamide

IUPAC name

N-{[3-(2H-13-benzodioxol-5-yl)-45-dihydro-12-oxazol-5-yl]methyl}-N-{[3-(trifluoromethyl)phenyl]methyl}cyclopentanecarboxamide

SMILES

O=C(C1CCCC1)N(CC(C1)ON=C1c(cc1)cc2c1OCO2)Cc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C25H25F3N2O4/c26-25(27,28)19-7-3-4-16(10-19)13-30(24(31)17-5-1-2-6-17)14-20-12-21(29-34-20)18-8-9-22-23(11-18)33-15-32-22/h3-4,7-11,17,20H,1-2,5-6,12-15H2/t20-/m1/s1

InChI Key

DBVXGWVXZVNDIL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19794019

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.329

Distribution Coefficient, logD

5.329

Water Solubility, LogSw

-5.84

Polar Surface Area

56.687

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

V026-5926 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V026-5926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5926?
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What is the minimum amount of V026-5926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5926
  • 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 V026-5926 available by request