C066-1637 Screening compound: 6-(4-methoxyphenyl)-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1-(3,4,5-trimethoxyphenyl)piperidin-2-one

C066-1637 Screening compound: 6-(4-methoxyphenyl)-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1-(3,4,5-trimethoxyphenyl)piperidin-2-one
C066-1637 Screening compound: 6-(4-methoxyphenyl)-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1-(3,4,5-trimethoxyphenyl)piperidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1637
6-(4-methoxyphenyl)-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1-(3,4,5-trimethoxyphenyl)piperidin-2-one

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

C066-1637

Molecular Formula

C33H36F3N3O6 (C33 H36 F3 N3 O6)

Compound Name

6-(4-methoxyphenyl)-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1-(3,4,5-trimethoxyphenyl)piperidin-2-one

IUPAC name

6-(4-methoxyphenyl)-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1-(345-trimethoxyphenyl)piperidin-2-one

SMILES

COc1ccc(C(C(CCC2=O)C(N(CC3)CCN3c3cccc(C(F)(F)F)c3)=O)N2c(cc2OC)cc(OC)c2OC)cc1

InChI

InChI=1S/C33H36F3N3O6/c1-42-25-10-8-21(9-11-25)30-26(12-13-29(40)39(30)24-19-27(43-2)31(45-4)28(20-24)44-3)32(41)38-16-14-37(15-17-38)23-7-5-6-22(18-23)33(34,35)36/h5-11,18-20,26,30H,12-17H2,1-4H3

InChI Key

VANYSICKMMLHBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

627.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.800

Distribution Coefficient, logD

4.800

Water Solubility, LogSw

-4.79

Polar Surface Area

66.019

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.40

C066-1637 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-1637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1637?
Check Price and Availability of C066-1637, 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 C066-1637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1637
  • 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 C066-1637 available by request