V016-6075 Screening compound: N-cyclohexyl-4-fluoro-N-{[4-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}benzamide

V016-6075 Screening compound: N-cyclohexyl-4-fluoro-N-{[4-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}benzamide
V016-6075 Screening compound: N-cyclohexyl-4-fluoro-N-{[4-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6075
N-cyclohexyl-4-fluoro-N-{[4-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}benzamide

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

V016-6075

Molecular Formula

C33H36F4N2O (C33 H36 F4 N2 O)

Compound Name

N-cyclohexyl-4-fluoro-N-{[4-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}benzamide

IUPAC name

N-cyclohexyl-4-fluoro-N-{[4-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}benzamide

SMILES

Cc1c(C2C(CN(C3CCCCC3)C(c(cc3)ccc3F)=O)CN(Cc3cc(C(F)(F)F)ccc3)C2)cccc1

InChI

InChI=1S/C33H36F4N2O/c1-23-8-5-6-13-30(23)31-22-38(19-24-9-7-10-27(18-24)33(35,36)37)20-26(31)21-39(29-11-3-2-4-12-29)32(40)25-14-16-28(34)17-15-25/h5-10,13-18,26,29,31H,2-4,11-12,19-22H2,1H3

InChI Key

OIYUTYASRCXJPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922313

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

552.66

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.787

Distribution Coefficient, logD

6.684

Water Solubility, LogSw

-5.60

Polar Surface Area

19.116

Acid Dissociation Constant (pKa)

23.12

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.40

V016-6075 in Drug Discovery

Included in Screening Libraries

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-6075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6075?
Check Price and Availability of V016-6075, 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 V016-6075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6075
  • 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 V016-6075 available by request