V027-7566 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-methylpropanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

V027-7566 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-methylpropanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
V027-7566 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-methylpropanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-7566
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-methylpropanoyl)-4-[3-(trifluoromethyl)phenyl]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

V027-7566

Molecular Formula

C24H25F3N2O4 (C24 H25 F3 N2 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-methylpropanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-(2-methylpropanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

SMILES

CC(C)C(N(CC1C(NCc(cc2)cc3c2OCO3)=O)CC1c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C24H25F3N2O4/c1-14(2)23(31)29-11-18(16-4-3-5-17(9-16)24(25,26)27)19(12-29)22(30)28-10-15-6-7-20-21(8-15)33-13-32-20/h3-9,14,18-19H,10-13H2,1-2H3,(H,28,30)

InChI Key

MKYVFAHEZCSITE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19821084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.884

Distribution Coefficient, logD

3.884

Water Solubility, LogSw

-4.02

Polar Surface Area

58.648

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

V027-7566 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V027-7566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-7566?
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What is the minimum amount of V027-7566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-7566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-7566
  • 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 V027-7566 available by request