V008-5446 Screening compound: N-benzyl-N-[(furan-2-yl)methyl]-2-[propyl({[3-(trifluoromethyl)phenyl]carbamoyl})amino]acetamide

V008-5446 Screening compound: N-benzyl-N-[(furan-2-yl)methyl]-2-[propyl({[3-(trifluoromethyl)phenyl]carbamoyl})amino]acetamide
V008-5446 Screening compound: N-benzyl-N-[(furan-2-yl)methyl]-2-[propyl({[3-(trifluoromethyl)phenyl]carbamoyl})amino]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-5446
N-benzyl-N-[(furan-2-yl)methyl]-2-[propyl({[3-(trifluoromethyl)phenyl]carbamoyl})amino]acetamide

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

V008-5446

Molecular Formula

C25H26F3N3O3 (C25 H26 F3 N3 O3)

Compound Name

N-benzyl-N-[(furan-2-yl)methyl]-2-[propyl({[3-(trifluoromethyl)phenyl]carbamoyl})amino]acetamide

IUPAC name

N-benzyl-N-[(furan-2-yl)methyl]-2-[propyl({[3-(trifluoromethyl)phenyl]carbamoyl})amino]acetamide

SMILES

CCCN(CC(N(Cc1ccco1)Cc1ccccc1)=O)C(Nc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C25H26F3N3O3/c1-2-13-30(24(33)29-21-11-6-10-20(15-21)25(26,27)28)18-23(32)31(17-22-12-7-14-34-22)16-19-8-4-3-5-9-19/h3-12,14-15H,2,13,16-18H2,1H3,(H,29,33)

InChI Key

PFKVKGMBIFNPRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19747621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.132

Distribution Coefficient, logD

5.132

Water Solubility, LogSw

-5.09

Polar Surface Area

48.681

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V008-5446 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V008-5446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-5446?
Check Price and Availability of V008-5446, 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 V008-5446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-5446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-5446
  • 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 V008-5446 available by request