V021-1160 Screening compound: 3-(3-fluorobenzyl)-5-((Z)-1-{4-[(4-methylpiperidino)carbonyl]phenyl}methylidene)-1,3-thiazolane-2,4-dione

V021-1160 Screening compound: 3-(3-fluorobenzyl)-5-((Z)-1-{4-[(4-methylpiperidino)carbonyl]phenyl}methylidene)-1,3-thiazolane-2,4-dione
V021-1160 Screening compound: 3-(3-fluorobenzyl)-5-((Z)-1-{4-[(4-methylpiperidino)carbonyl]phenyl}methylidene)-1,3-thiazolane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1160
3-(3-fluorobenzyl)-5-((Z)-1-{4-[(4-methylpiperidino)carbonyl]phenyl}methylidene)-1,3-thiazolane-2,4-dione

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

V021-1160

Molecular Formula

C24H23FN2O3S (C24 H23 FN2 O3 S)

Compound Name

3-(3-fluorobenzyl)-5-((Z)-1-{4-[(4-methylpiperidino)carbonyl]phenyl}methylidene)-1,3-thiazolane-2,4-dione

IUPAC name

(5Z)-3-[(3-fluorophenyl)methyl]-5-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methylidene}-13-thiazolidine-24-dione

SMILES

CC(CC1)CCN1C(c1ccc(/C=C(/C(N2Cc3cc(F)ccc3)=O)\SC2=O)cc1)=O

InChI

InChI=1S/C24H23FN2O3S/c1-16-9-11-26(12-10-16)22(28)19-7-5-17(6-8-19)14-21-23(29)27(24(30)31-21)15-18-3-2-4-20(25)13-18/h2-8,13-14,16H,9-12,15H2,1H3

InChI Key

QFCWAMBWBFMQQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19934529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.623

Distribution Coefficient, logD

4.623

Water Solubility, LogSw

-4.42

Polar Surface Area

46.244

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V021-1160 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 V021-1160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1160?
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What is the minimum amount of V021-1160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1160
  • 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 V021-1160 available by request