V021-2236 Screening compound: 5-oxo-N-(2-phenoxyethyl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidine-3-carboxamide

V021-2236 Screening compound: 5-oxo-N-(2-phenoxyethyl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidine-3-carboxamide
V021-2236 Screening compound: 5-oxo-N-(2-phenoxyethyl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2236
5-oxo-N-(2-phenoxyethyl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidine-3-carboxamide

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

V021-2236

Molecular Formula

C21H21F3N2O4 (C21 H21 F3 N2 O4)

Compound Name

5-oxo-N-(2-phenoxyethyl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidine-3-carboxamide

IUPAC name

5-oxo-N-(2-phenoxyethyl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(Cc(cc2)ccc2OC(F)(F)F)C1=O)NCCOc1ccccc1

InChI

InChI=1S/C21H21F3N2O4/c22-21(23,24)30-18-8-6-15(7-9-18)13-26-14-16(12-19(26)27)20(28)25-10-11-29-17-4-2-1-3-5-17/h1-9,16H,10-14H2,(H,25,28)/t16-/m1/s1

InChI Key

VIINXWODEVAMDM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19972081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-3.40

Polar Surface Area

55.043

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V021-2236 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V021-2236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2236?
Check Price and Availability of V021-2236, 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 V021-2236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2236
  • 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 V021-2236 available by request