3229-2266 Screening compound: 4-{[(5E)-3-(3-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2,6-dimethoxyphenyl acetate

3229-2266 Screening compound: 4-{[(5E)-3-(3-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2,6-dimethoxyphenyl acetate
3229-2266 Screening compound: 4-{[(5E)-3-(3-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2,6-dimethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2266
4-{[(5E)-3-(3-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2,6-dimethoxyphenyl acetate

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

3229-2266

Molecular Formula

C20H16FNO5S2 (C20 H16 FNO5 S2)

Compound Name

4-{[(5E)-3-(3-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2,6-dimethoxyphenyl acetate

IUPAC name

4-{[(5E)-3-(3-fluorophenyl)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}-26-dimethoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=C(\C(N1c2cc(F)ccc2)=O)/SC1=S)c1)c1OC)=O

InChI

InChI=1S/C20H16FNO5S2/c1-11(23)27-18-15(25-2)7-12(8-16(18)26-3)9-17-19(24)22(20(28)29-17)14-6-4-5-13(21)10-14/h4-10H,1-3H3

InChI Key

UDNTWTOSTVIYAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01591188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.86

Polar Surface Area

52.016

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3229-2266 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3229-2266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2266?
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What is the minimum amount of 3229-2266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2266
  • 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 3229-2266 available by request