4476-4251 Screening compound: 2-{3-[(5Z)-3-(2-hydroxybenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid

4476-4251 Screening compound: 2-{3-[(5Z)-3-(2-hydroxybenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid
4476-4251 Screening compound: 2-{3-[(5Z)-3-(2-hydroxybenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-4251
2-{3-[(5Z)-3-(2-hydroxybenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}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

4476-4251

Molecular Formula

C20H13N3O6S2 (C20 H13 N3 O6 S2)

Compound Name

2-{3-[(5Z)-3-(2-hydroxybenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid

IUPAC name

2-{3-[(5Z)-3-(2-hydroxybenzamido)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-2-oxo-23-dihydro-1H-indol-1-yl}acetic acid

SMILES

OC(CN(c(cccc1)c1/C1=C(\C(N2NC(c(cccc3)c3O)=O)=O)/SC2=S)C1=O)=O

InChI

InChI=1S/C20H13N3O6S2/c24-13-8-4-2-6-11(13)17(27)21-23-19(29)16(31-20(23)30)15-10-5-1-3-7-12(10)22(18(15)28)9-14(25)26/h1-8,24H,9H2,(H,21,27)(H,25,26)

InChI Key

WECYWDKHZXFMFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00711106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.938

Distribution Coefficient, logD

-3.088

Water Solubility, LogSw

-2.45

Polar Surface Area

103.516

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

4476-4251 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4476-4251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-4251?
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What is the minimum amount of 4476-4251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-4251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-4251
  • 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 4476-4251 available by request