V018-5222 Screening compound: ethyl 1-(4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoyl)piperidine-3-carboxylate

V018-5222 Screening compound: ethyl 1-(4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoyl)piperidine-3-carboxylate
V018-5222 Screening compound: ethyl 1-(4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5222
ethyl 1-(4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoyl)piperidine-3-carboxylate

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

V018-5222

Molecular Formula

C26H25FN2O5S (C26 H25 FN2 O5 S)

Compound Name

ethyl 1-(4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(4-{[(5Z)-3-[(4-fluorophenyl)methyl]-24-dioxo-13-thiazolidin-5-ylidene]methyl}benzoyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1ccc(/C=C(/C(N2Cc(cc3)ccc3F)=O)\SC2=O)cc1)=O)=O

InChI

InChI=1S/C26H25FN2O5S/c1-2-34-25(32)20-4-3-13-28(16-20)23(30)19-9-5-17(6-10-19)14-22-24(31)29(26(33)35-22)15-18-7-11-21(27)12-8-18/h5-12,14,20H,2-4,13,15-16H2,1H3/t20-/m0/s1

InChI Key

OFPSAFGIZLWSCL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19934498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.148

Distribution Coefficient, logD

4.148

Water Solubility, LogSw

-4.05

Polar Surface Area

66.931

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

V018-5222 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V018-5222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5222?
Check Price and Availability of V018-5222, 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 V018-5222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5222
  • 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 V018-5222 available by request