3966-4465 Screening compound: 1-[2-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)ethynyl]cyclohexan-1-ol

3966-4465 Screening compound: 1-[2-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)ethynyl]cyclohexan-1-ol
3966-4465 Screening compound: 1-[2-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)ethynyl]cyclohexan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-4465
1-[2-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)ethynyl]cyclohexan-1-ol

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

3966-4465

Molecular Formula

C26H27F3N2O2 (C26 H27 F3 N2 O2)

Compound Name

1-[2-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)ethynyl]cyclohexan-1-ol

IUPAC name

1-[2-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)ethynyl]cyclohexan-1-ol

SMILES

OC1(CCCCC1)C#Cc(cc1)ccc1C(N(CC1)CCN1c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C26H27F3N2O2/c27-26(28,29)22-5-4-6-23(19-22)30-15-17-31(18-16-30)24(32)21-9-7-20(8-10-21)11-14-25(33)12-2-1-3-13-25/h4-10,19,33H,1-3,12-13,15-18H2

InChI Key

DTEUCDMWTHLSDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02210918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.361

Distribution Coefficient, logD

5.361

Water Solubility, LogSw

-5.63

Polar Surface Area

35.641

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

3966-4465 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3966-4465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-4465?
Check Price and Availability of 3966-4465, 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 3966-4465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-4465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-4465
  • 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 3966-4465 available by request