V028-9825 Screening compound: 1-(4-nitrobenzoyl)-3-{[3-(trifluoromethoxy)phenyl]methoxy}piperidine

V028-9825 Screening compound: 1-(4-nitrobenzoyl)-3-{[3-(trifluoromethoxy)phenyl]methoxy}piperidine
V028-9825 Screening compound: 1-(4-nitrobenzoyl)-3-{[3-(trifluoromethoxy)phenyl]methoxy}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9825
1-(4-nitrobenzoyl)-3-{[3-(trifluoromethoxy)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

V028-9825

Molecular Formula

C20H19F3N2O5 (C20 H19 F3 N2 O5)

Compound Name

1-(4-nitrobenzoyl)-3-{[3-(trifluoromethoxy)phenyl]methoxy}piperidine

IUPAC name

1-(4-nitrobenzoyl)-3-{[3-(trifluoromethoxy)phenyl]methoxy}piperidine

SMILES

[O-][N+](c(cc1)ccc1C(N(CCC1)CC1OCc1cccc(OC(F)(F)F)c1)=O)=O

InChI

InChI=1S/C20H19F3N2O5/c21-20(22,23)30-17-4-1-3-14(11-17)13-29-18-5-2-10-24(12-18)19(26)15-6-8-16(9-7-15)25(27)28/h1,3-4,6-9,11,18H,2,5,10,12-13H2/t18-/m0/s1

InChI Key

JYDUYCWWTRKPHX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19884573

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.039

Distribution Coefficient, logD

4.039

Water Solubility, LogSw

-4.31

Polar Surface Area

62.880

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

V028-9825 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-9825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9825?
Check Price and Availability of V028-9825, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V028-9825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9825
  • 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 V028-9825 available by request