V020-4202 Screening compound: 4-fluoro-N-(2-methylpropyl)-N-({1-[(3-methylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)benzamide

V020-4202 Screening compound: 4-fluoro-N-(2-methylpropyl)-N-({1-[(3-methylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)benzamide
V020-4202 Screening compound: 4-fluoro-N-(2-methylpropyl)-N-({1-[(3-methylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-4202
4-fluoro-N-(2-methylpropyl)-N-({1-[(3-methylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]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

V020-4202

Molecular Formula

C29H32F4N2OS (C29 H32 F4 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(CC(CN(Cc1c(C)ccs1)C1)C1c1cc(C(F)(F)F)ccc1)C(c(cc1)ccc1F)=O

InChI

InChI=1S/C29H32F4N2OS/c1-19(2)14-35(28(36)21-7-9-25(30)10-8-21)16-23-15-34(18-27-20(3)11-12-37-27)17-26(23)22-5-4-6-24(13-22)29(31,32)33/h4-13,19,23,26H,14-18H2,1-3H3

InChI Key

PAOFDPRIIUQEQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922449

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.65

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.959

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-5.68

Polar Surface Area

21.162

Acid Dissociation Constant (pKa)

23.12

Base Dissociation Constant (pKb)

9.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.40

V020-4202 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V020-4202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-4202?
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What is the minimum amount of V020-4202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-4202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-4202
  • 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 V020-4202 available by request