5511-0030 Screening compound: 2-(2-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)acetic acid

5511-0030 Screening compound: 2-(2-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)acetic acid
5511-0030 Screening compound: 2-(2-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5511-0030
2-(2-{[(5Z)-2-imino-4-oxo-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

5511-0030

Molecular Formula

C13H12N2O5S (C13 H12 N2 O5 S)

Compound Name

2-(2-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)acetic acid

IUPAC name

2-(2-{[(5Z)-2-imino-4-oxo-13-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)acetic acid

SMILES

COc1cccc(/C=C(/C(N2)=O)\SC2=N)c1OCC(O)=O

InChI

InChI=1S/C13H12N2O5S/c1-19-8-4-2-3-7(11(8)20-6-10(16)17)5-9-12(18)15-13(14)21-9/h2-5H,6H2,1H3,(H,16,17)(H2,14,15,18)

InChI Key

VSHDFRFLIIEABM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04230562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.802

Distribution Coefficient, logD

-3.435

Water Solubility, LogSw

-2.01

Polar Surface Area

86.200

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

5511-0030 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 5511-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5511-0030?
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What is the minimum amount of 5511-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5511-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5511-0030
  • 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 5511-0030 available by request