V029-2927 Screening compound: 4-[2-(trifluoromethyl)benzoyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

V029-2927 Screening compound: 4-[2-(trifluoromethyl)benzoyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
V029-2927 Screening compound: 4-[2-(trifluoromethyl)benzoyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-1-oxa-4-azaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-2927
4-[2-(trifluoromethyl)benzoyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

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

V029-2927

Molecular Formula

C25H24F6N2O3 (C25 H24 F6 N2 O3)

Compound Name

4-[2-(trifluoromethyl)benzoyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

IUPAC name

4-[2-(trifluoromethyl)benzoyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

SMILES

O=C(C(COC12CCCCC2)N1C(c1c(C(F)(F)F)cccc1)=O)NCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C25H24F6N2O3/c26-24(27,28)17-8-6-7-16(13-17)14-32-21(34)20-15-36-23(11-4-1-5-12-23)33(20)22(35)18-9-2-3-10-19(18)25(29,30)31/h2-3,6-10,13,20H,1,4-5,11-12,14-15H2,(H,32,34)/t20-/m0/s1

InChI Key

HHEIBHJKASAOQJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19809682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.726

Distribution Coefficient, logD

4.726

Water Solubility, LogSw

-4.70

Polar Surface Area

47.539

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with V029-2927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-2927?
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What is the minimum amount of V029-2927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-2927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-2927
  • 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 V029-2927 available by request