4489-3346 Screening compound: 2-(2-bromo-4-{[(5E)-3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)acetic acid

4489-3346 Screening compound: 2-(2-bromo-4-{[(5E)-3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)acetic acid
4489-3346 Screening compound: 2-(2-bromo-4-{[(5E)-3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-3346
2-(2-bromo-4-{[(5E)-3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)acetic acid

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

4489-3346

Molecular Formula

C21H18BrNO5S2 (C21 H18 BrNO5 S2)

Compound Name

2-(2-bromo-4-{[(5E)-3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)acetic acid

IUPAC name

2-(2-bromo-4-{[(5E)-3-(24-dimethylphenyl)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)acetic acid

SMILES

Cc(cc1)cc(C)c1N(C(/C(/S1)=C\c(cc2OC)cc(Br)c2OCC(O)=O)=O)C1=S

InChI

InChI=1S/C21H18BrNO5S2/c1-11-4-5-15(12(2)6-11)23-20(26)17(30-21(23)29)9-13-7-14(22)19(16(8-13)27-3)28-10-18(24)25/h4-9H,10H2,1-3H3,(H,24,25)

InChI Key

HWWYSOBASKYNRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02316614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.059

Distribution Coefficient, logD

0.822

Water Solubility, LogSw

-4.56

Polar Surface Area

59.217

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 4489-3346 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-3346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-3346
  • 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 4489-3346 available by request