3331-2565 Screening compound: 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid

3331-2565 Screening compound: 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid
3331-2565 Screening compound: 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-2565
2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic 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

3331-2565

Molecular Formula

C16H17NO4S2 (C16 H17 NO4 S2)

Compound Name

2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid

IUPAC name

2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]pentanoic acid

SMILES

CCCC(C(O)=O)N(C(/C(/S1)=C/c(cccc2)c2OC)=O)C1=S

InChI

InChI=1S/C16H17NO4S2/c1-3-6-11(15(19)20)17-14(18)13(23-16(17)22)9-10-7-4-5-8-12(10)21-2/h4-5,7-9,11H,3,6H2,1-2H3,(H,19,20)/t11-/m0/s1

InChI Key

LXMBGQDOVMXPCX-NSHDSACASA-N

MDL Number (MFCD)

MFCD00710948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

0.339

Water Solubility, LogSw

-3.38

Polar Surface Area

51.678

Acid Dissociation Constant (pKa)

4.55

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

3331-2565 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3331-2565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-2565?
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What is the minimum amount of 3331-2565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-2565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-2565
  • 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 3331-2565 available by request