3229-1708 Screening compound: 4-{[(5E)-3-(3-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate

3229-1708 Screening compound: 4-{[(5E)-3-(3-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate
3229-1708 Screening compound: 4-{[(5E)-3-(3-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1708
4-{[(5E)-3-(3-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl thiophene-2-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

3229-1708

Molecular Formula

C22H14FNO4S3 (C22 H14 FNO4 S3)

Compound Name

4-{[(5E)-3-(3-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate

IUPAC name

4-{[(5E)-3-(3-fluorophenyl)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate

SMILES

COc(cc(/C=C(\C(N1c2cc(F)ccc2)=O)/SC1=S)cc1)c1OC(c1cccs1)=O

InChI

InChI=1S/C22H14FNO4S3/c1-27-17-10-13(7-8-16(17)28-21(26)18-6-3-9-30-18)11-19-20(25)24(22(29)31-19)15-5-2-4-14(23)12-15/h2-12H,1H3

InChI Key

QCYKBKRUYZCXAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01836009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.034

Distribution Coefficient, logD

5.034

Water Solubility, LogSw

-4.95

Polar Surface Area

44.944

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 3229-1708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1708?
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What is the minimum amount of 3229-1708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1708
  • 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 3229-1708 available by request