V008-3691 Screening compound: N-[(furan-2-yl)methyl]-2-[(3-methylphenyl)formamido]-2-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}acetamide

V008-3691 Screening compound: N-[(furan-2-yl)methyl]-2-[(3-methylphenyl)formamido]-2-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}acetamide
V008-3691 Screening compound: N-[(furan-2-yl)methyl]-2-[(3-methylphenyl)formamido]-2-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3691
N-[(furan-2-yl)methyl]-2-[(3-methylphenyl)formamido]-2-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}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

V008-3691

Molecular Formula

C28H28F3N3O4 (C28 H28 F3 N3 O4)

Compound Name

N-[(furan-2-yl)methyl]-2-[(3-methylphenyl)formamido]-2-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-[(3-methylphenyl)formamido]-2-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}acetamide

SMILES

Cc1cccc(C(NC(C(CC2)CCN2C(c2ccc(C(F)(F)F)cc2)=O)C(NCc2ccco2)=O)=O)c1

InChI

InChI=1S/C28H28F3N3O4/c1-18-4-2-5-21(16-18)25(35)33-24(26(36)32-17-23-6-3-15-38-23)19-11-13-34(14-12-19)27(37)20-7-9-22(10-8-20)28(29,30)31/h2-10,15-16,19,24H,11-14,17H2,1H3,(H,32,36)(H,33,35)/t24-/m0/s1

InChI Key

WVOVBUCCEYVJKX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19875250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.283

Distribution Coefficient, logD

4.283

Water Solubility, LogSw

-4.28

Polar Surface Area

72.814

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

V008-3691 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V008-3691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3691?
Check Price and Availability of V008-3691, 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 V008-3691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3691
  • 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 V008-3691 available by request