V017-3027 Screening compound: N-{[4-(2-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl}-N-(propan-2-yl)benzamide

V017-3027 Screening compound: N-{[4-(2-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl}-N-(propan-2-yl)benzamide
V017-3027 Screening compound: N-{[4-(2-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3027
N-{[4-(2-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl}-N-(propan-2-yl)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

V017-3027

Molecular Formula

C28H34N2OS (C28 H34 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(CC(CN(Cc1c(C)ccs1)C1)C1c1c(C)cccc1)C(c1ccccc1)=O

InChI

InChI=1S/C28H34N2OS/c1-20(2)30(28(31)23-11-6-5-7-12-23)17-24-16-29(19-27-22(4)14-15-32-27)18-26(24)25-13-9-8-10-21(25)3/h5-15,20,24,26H,16-19H2,1-4H3

InChI Key

FGWTXUFTMJQVOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922296

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

446.66

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

6.162

Distribution Coefficient, logD

4.559

Water Solubility, LogSw

-5.53

Polar Surface Area

20.905

Acid Dissociation Constant (pKa)

23.12

Base Dissociation Constant (pKb)

8.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.30

V017-3027 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 V017-3027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3027?
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What is the minimum amount of V017-3027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3027
  • 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 V017-3027 available by request