4405-0687 Screening compound: 2-[(2E)-2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

4405-0687 Screening compound: 2-[(2E)-2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
4405-0687 Screening compound: 2-[(2E)-2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4405-0687
2-[(2E)-2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-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

4405-0687

Molecular Formula

C14H15N3O5S (C14 H15 N3 O5 S)

Compound Name

2-[(2E)-2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

IUPAC name

2-[(2E)-2-[(2E)-2-[(25-dimethoxyphenyl)methylidene]hydrazin-1-ylidene]-4-oxo-13-thiazolidin-5-yl]acetic acid

SMILES

COc(cc1)cc(/C=N/N=C(\N2)/SC(CC(O)=O)C2=O)c1OC

InChI

InChI=1S/C14H15N3O5S/c1-21-9-3-4-10(22-2)8(5-9)7-15-17-14-16-13(20)11(23-14)6-12(18)19/h3-5,7,11H,6H2,1-2H3,(H,18,19)(H,16,17,20)/t11-/m0/s1

InChI Key

YQDVDIPZWYORGR-NSHDSACASA-N

MDL Number (MFCD)

MFCD01630221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.342

Distribution Coefficient, logD

-1.444

Water Solubility, LogSw

-2.40

Polar Surface Area

88.249

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4405-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4405-0687?
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What is the minimum amount of 4405-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4405-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4405-0687
  • 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 4405-0687 available by request