V013-6649 Screening compound: 1-(3,5-dimethoxybenzoyl)-3-{[3-(trifluoromethyl)phenyl]methoxy}piperidine

V013-6649 Screening compound: 1-(3,5-dimethoxybenzoyl)-3-{[3-(trifluoromethyl)phenyl]methoxy}piperidine
V013-6649 Screening compound: 1-(3,5-dimethoxybenzoyl)-3-{[3-(trifluoromethyl)phenyl]methoxy}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6649
1-(3,5-dimethoxybenzoyl)-3-{[3-(trifluoromethyl)phenyl]methoxy}piperidine

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

V013-6649

Molecular Formula

C22H24F3NO4 (C22 H24 F3 NO4)

Compound Name

1-(3,5-dimethoxybenzoyl)-3-{[3-(trifluoromethyl)phenyl]methoxy}piperidine

IUPAC name

1-(35-dimethoxybenzoyl)-3-{[3-(trifluoromethyl)phenyl]methoxy}piperidine

SMILES

COc1cc(C(N(CCC2)CC2OCc2cccc(C(F)(F)F)c2)=O)cc(OC)c1

InChI

InChI=1S/C22H24F3NO4/c1-28-19-10-16(11-20(12-19)29-2)21(27)26-8-4-7-18(13-26)30-14-15-5-3-6-17(9-15)22(23,24)25/h3,5-6,9-12,18H,4,7-8,13-14H2,1-2H3/t18-/m0/s1

InChI Key

CXZNZVCSPVVOLY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19884483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.890

Distribution Coefficient, logD

3.890

Water Solubility, LogSw

-4.06

Polar Surface Area

38.649

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

V013-6649 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V013-6649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6649?
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What is the minimum amount of V013-6649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6649
  • 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 V013-6649 available by request