V020-4209 Screening compound: N-cyclohexyl-4-fluoro-N-{[4-(2-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl}benzamide

V020-4209 Screening compound: N-cyclohexyl-4-fluoro-N-{[4-(2-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl}benzamide
V020-4209 Screening compound: N-cyclohexyl-4-fluoro-N-{[4-(2-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-4209
N-cyclohexyl-4-fluoro-N-{[4-(2-methylphenyl)-1-[(3-methylthiophen-2-yl)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

V020-4209

Molecular Formula

C31H37FN2OS (C31 H37 FN2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(CC2CN(C3CCCCC3)C(c(cc3)ccc3F)=O)CC2c2c(C)cccc2)scc1

InChI

InChI=1S/C31H37FN2OS/c1-22-8-6-7-11-28(22)29-20-33(21-30-23(2)16-17-36-30)18-25(29)19-34(27-9-4-3-5-10-27)31(35)24-12-14-26(32)15-13-24/h6-8,11-17,25,27,29H,3-5,9-10,18-21H2,1-2H3

InChI Key

BAKHWBNRVAEMGS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.71

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.317

Distribution Coefficient, logD

5.713

Water Solubility, LogSw

-5.46

Polar Surface Area

20.135

Acid Dissociation Constant (pKa)

23.12

Base Dissociation Constant (pKb)

8.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.20

References: we are preparing a list of scientific research reports with V020-4209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-4209?
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What is the minimum amount of V020-4209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-4209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-4209
  • 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 V020-4209 available by request