4405-0897 Screening compound: 2-[(2E)-4-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazin-1-ylidene]-1,3-thiazolidin-5-yl]acetic acid

4405-0897 Screening compound: 2-[(2E)-4-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazin-1-ylidene]-1,3-thiazolidin-5-yl]acetic acid
4405-0897 Screening compound: 2-[(2E)-4-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazin-1-ylidene]-1,3-thiazolidin-5-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4405-0897
2-[(2E)-4-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazin-1-ylidene]-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

4405-0897

Molecular Formula

C15H17N3O6S (C15 H17 N3 O6 S)

Compound Name

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

IUPAC name

2-[(2E)-4-oxo-2-[(2E)-2-[(345-trimethoxyphenyl)methylidene]hydrazin-1-ylidene]-13-thiazolidin-5-yl]acetic acid

SMILES

COc1cc(/C=N/N=C(\N2)/SC(CC(O)=O)C2=O)cc(OC)c1OC

InChI

InChI=1S/C15H17N3O6S/c1-22-9-4-8(5-10(23-2)13(9)24-3)7-16-18-15-17-14(21)11(25-15)6-12(19)20/h4-5,7,11H,6H2,1-3H3,(H,19,20)(H,17,18,21)/t11-/m0/s1

InChI Key

GRZBITUAWOJSNW-NSHDSACASA-N

MDL Number (MFCD)

MFCD02107167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.771

Distribution Coefficient, logD

-2.016

Water Solubility, LogSw

-2.22

Polar Surface Area

96.052

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4405-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4405-0897?
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What is the minimum amount of 4405-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4405-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4405-0897
  • 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 4405-0897 available by request