V028-2568 Screening compound: N-isopropyl-N-methyl-1-(2-thienylcarbonyl)-4-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide

V028-2568 Screening compound: N-isopropyl-N-methyl-1-(2-thienylcarbonyl)-4-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide
V028-2568 Screening compound: N-isopropyl-N-methyl-1-(2-thienylcarbonyl)-4-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2568
N-isopropyl-N-methyl-1-(2-thienylcarbonyl)-4-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide

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

V028-2568

Molecular Formula

C21H23F3N2O2S (C21 H23 F3 N2 O2 S)

Compound Name

N-isopropyl-N-methyl-1-(2-thienylcarbonyl)-4-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide

IUPAC name

N-methyl-N-(propan-2-yl)-1-(thiophene-2-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

SMILES

CC(C)N(C)C(C(CN(C1)C(c2cccs2)=O)C1c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C21H23F3N2O2S/c1-13(2)25(3)19(27)17-12-26(20(28)18-8-5-9-29-18)11-16(17)14-6-4-7-15(10-14)21(22,23)24/h4-10,13,16-17H,11-12H2,1-3H3

InChI Key

JPZUIWGJIYRMEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14260889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.034

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-4.29

Polar Surface Area

33.839

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

V028-2568 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V028-2568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2568?
Check Price and Availability of V028-2568, 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 V028-2568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2568
  • 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 V028-2568 available by request