V014-3044 Screening compound: N-[(4-fluorophenyl)methyl]-2-{[(4-methylphenyl)carbamoyl][2-(piperidin-1-yl)ethyl]amino}-N-[(5-methylthiophen-2-yl)methyl]acetamide

V014-3044 Screening compound: N-[(4-fluorophenyl)methyl]-2-{[(4-methylphenyl)carbamoyl][2-(piperidin-1-yl)ethyl]amino}-N-[(5-methylthiophen-2-yl)methyl]acetamide
V014-3044 Screening compound: N-[(4-fluorophenyl)methyl]-2-{[(4-methylphenyl)carbamoyl][2-(piperidin-1-yl)ethyl]amino}-N-[(5-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-3044
N-[(4-fluorophenyl)methyl]-2-{[(4-methylphenyl)carbamoyl][2-(piperidin-1-yl)ethyl]amino}-N-[(5-methylthiophen-2-yl)methyl]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

V014-3044

Molecular Formula

C30H37FN4O2S (C30 H37 FN4 O2 S)

Compound Name

N-[(4-fluorophenyl)methyl]-2-{[(4-methylphenyl)carbamoyl][2-(piperidin-1-yl)ethyl]amino}-N-[(5-methylthiophen-2-yl)methyl]acetamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-{[(4-methylphenyl)carbamoyl][2-(piperidin-1-yl)ethyl]amino}-N-[(5-methylthiophen-2-yl)methyl]acetamide

SMILES

Cc1ccc(CN(Cc(cc2)ccc2F)C(CN(CCN2CCCCC2)C(Nc2ccc(C)cc2)=O)=O)s1

InChI

InChI=1S/C30H37FN4O2S/c1-23-6-13-27(14-7-23)32-30(37)34(19-18-33-16-4-3-5-17-33)22-29(36)35(21-28-15-8-24(2)38-28)20-25-9-11-26(31)12-10-25/h6-15H,3-5,16-22H2,1-2H3,(H,32,37)

InChI Key

JBISWSCYFQAXIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19762179

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

536.71

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

5.407

Distribution Coefficient, logD

2.866

Water Solubility, LogSw

-5.13

Polar Surface Area

45.662

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V014-3044 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V014-3044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-3044?
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What is the minimum amount of V014-3044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-3044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-3044
  • 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 V014-3044 available by request