2784-0411 Screening compound: 2-(4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

2784-0411 Screening compound: 2-(4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
2784-0411 Screening compound: 2-(4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2784-0411
2-(4-{[(5Z)-2-imino-4-oxo-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

2784-0411

Molecular Formula

C12H10N2O4S (C12 H10 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

N=C(NC1=O)S/C1=C\c(cc1)ccc1OCC(O)=O

InChI

InChI=1S/C12H10N2O4S/c13-12-14-11(17)9(19-12)5-7-1-3-8(4-2-7)18-6-10(15)16/h1-5H,6H2,(H,15,16)(H2,13,14,17)

InChI Key

DGYYINVGTDMUNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01835952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.725

Distribution Coefficient, logD

-3.512

Water Solubility, LogSw

-1.90

Polar Surface Area

78.397

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

2784-0411 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2784-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2784-0411?
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What is the minimum amount of 2784-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2784-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2784-0411
  • 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 2784-0411 available by request