3277-0441 Screening compound: N-[(2E,5Z)-5-[(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

3277-0441 Screening compound: N-[(2E,5Z)-5-[(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
3277-0441 Screening compound: N-[(2E,5Z)-5-[(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3277-0441
N-[(2E,5Z)-5-[(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

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

3277-0441

Molecular Formula

C14H10N2O5S2 (C14 H10 N2 O5 S2)

Compound Name

N-[(2E,5Z)-5-[(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

IUPAC name

N-[(2E5Z)-5-[(7-methoxy-2-oxo-2H-13-benzoxathiol-5-yl)methylidene]-4-oxo-13-thiazolidin-2-ylidene]acetamide

SMILES

CC(/N=C(\NC1=O)/S/C1=C\c(cc1OC)cc(S2)c1OC2=O)=O

InChI

InChI=1S/C14H10N2O5S2/c1-6(17)15-13-16-12(18)10(22-13)5-7-3-8(20-2)11-9(4-7)23-14(19)21-11/h3-5H,1-2H3,(H,15,16,17,18)

InChI Key

IISZYDSIXZQGMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.237

Distribution Coefficient, logD

0.570

Water Solubility, LogSw

-2.32

Polar Surface Area

76.889

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3277-0441 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3277-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3277-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3277-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3277-0441
  • 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 3277-0441 available by request