5788-0598 Screening compound: 2-(4-{[(5E)-2-acetamido-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid

5788-0598 Screening compound: 2-(4-{[(5E)-2-acetamido-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid
5788-0598 Screening compound: 2-(4-{[(5E)-2-acetamido-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5788-0598
2-(4-{[(5E)-2-acetamido-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}-2-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

5788-0598

Molecular Formula

C15H14N2O6S (C15 H14 N2 O6 S)

Compound Name

2-(4-{[(5E)-2-acetamido-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid

IUPAC name

2-(4-{[(5E)-2-acetamido-4-oxo-45-dihydro-13-thiazol-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid

SMILES

CC(NC(S/C1=C/c(cc2)cc(OC)c2OCC(O)=O)=NC1=O)=O

InChI

InChI=1S/C15H14N2O6S/c1-8(18)16-15-17-14(21)12(24-15)6-9-3-4-10(11(5-9)22-2)23-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18,21)

InChI Key

SHRJTYBHVROOSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06662995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.485

Distribution Coefficient, logD

-3.752

Water Solubility, LogSw

-2.10

Polar Surface Area

89.574

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5788-0598 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 5788-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5788-0598?
Check Price and Availability of 5788-0598, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5788-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5788-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5788-0598
  • 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 5788-0598 available by request