V029-5854 Screening compound: N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxo-2-(piperidin-1-yl)ethyl)thiophene-2-carboxamide

V029-5854 Screening compound: N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxo-2-(piperidin-1-yl)ethyl)thiophene-2-carboxamide
V029-5854 Screening compound: N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxo-2-(piperidin-1-yl)ethyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5854
N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxo-2-(piperidin-1-yl)ethyl)thiophene-2-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

V029-5854

Molecular Formula

C24H29FN4O2S2 (C24 H29 FN4 O2 S2)

Compound Name

N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxo-2-(piperidin-1-yl)ethyl)thiophene-2-carboxamide

IUPAC name

N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxo-2-(piperidin-1-yl)ethyl)thiophene-2-carboxamide

SMILES

O=C(C(C(CC1)CCN1C(Nc(cc1)ccc1F)=S)NC(c1cccs1)=O)N1CCCCC1

InChI

InChI=1S/C24H29FN4O2S2/c25-18-6-8-19(9-7-18)26-24(32)29-14-10-17(11-15-29)21(23(31)28-12-2-1-3-13-28)27-22(30)20-5-4-16-33-20/h4-9,16-17,21H,1-3,10-15H2,(H,26,32)(H,27,30)/t21-/m0/s1

InChI Key

MREBRPFMCPYUBX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19875921

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.175

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.11

Polar Surface Area

52.569

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

V029-5854 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V029-5854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5854?
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What is the minimum amount of V029-5854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5854
  • 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 V029-5854 available by request