V021-0052 Screening compound: N-benzyl-N-{[4-(2-methoxyphenyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl]methyl}-2-methylpropanamide

V021-0052 Screening compound: N-benzyl-N-{[4-(2-methoxyphenyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl]methyl}-2-methylpropanamide
V021-0052 Screening compound: N-benzyl-N-{[4-(2-methoxyphenyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl]methyl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0052
N-benzyl-N-{[4-(2-methoxyphenyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl]methyl}-2-methylpropanamide

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

V021-0052

Molecular Formula

C28H34N2O2S (C28 H34 N2 O2 S)

Compound Name

N-benzyl-N-{[4-(2-methoxyphenyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl]methyl}-2-methylpropanamide

IUPAC name

N-benzyl-N-{[4-(2-methoxyphenyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl]methyl}-2-methylpropanamide

SMILES

CC(C)C(N(CC(CN(Cc1cccs1)C1)C1c(cccc1)c1OC)Cc1ccccc1)=O

InChI

InChI=1S/C28H34N2O2S/c1-21(2)28(31)30(16-22-10-5-4-6-11-22)18-23-17-29(19-24-12-9-15-33-24)20-26(23)25-13-7-8-14-27(25)32-3/h4-15,21,23,26H,16-20H2,1-3H3

InChI Key

NXCZNMHYMPSESG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922507

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.510

Distribution Coefficient, logD

2.812

Water Solubility, LogSw

-5.26

Polar Surface Area

28.792

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

10.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.30

V021-0052 in Drug Discovery

Included in Screening Libraries

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 V021-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0052?
Check Price and Availability of V021-0052, 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 V021-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0052
  • 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 V021-0052 available by request