3229-1237 Screening compound: 2-(4-{[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

3229-1237 Screening compound: 2-(4-{[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
3229-1237 Screening compound: 2-(4-{[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1237
2-(4-{[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)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

3229-1237

Molecular Formula

C13H11NO4S2 (C13 H11 NO4 S2)

Compound Name

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

IUPAC name

2-(4-{[(5E)-3-methyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

SMILES

CN(C(/C(/S1)=C\c(cc2)ccc2OCC(O)=O)=O)C1=S

InChI

InChI=1S/C13H11NO4S2/c1-14-12(17)10(20-13(14)19)6-8-2-4-9(5-3-8)18-7-11(15)16/h2-6H,7H2,1H3,(H,15,16)

InChI Key

WXBPULXVOAKYSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.763

Distribution Coefficient, logD

-2.474

Water Solubility, LogSw

-2.28

Polar Surface Area

52.363

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

3229-1237 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3229-1237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1237?
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What is the minimum amount of 3229-1237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1237
  • 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 3229-1237 available by request