4912-0935 Screening compound: 2-{(E)-2-[(E)-1-phenylmethylidene]hydrazono}hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

4912-0935 Screening compound: 2-{(E)-2-[(E)-1-phenylmethylidene]hydrazono}hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
4912-0935 Screening compound: 2-{(E)-2-[(E)-1-phenylmethylidene]hydrazono}hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-0935
2-{(E)-2-[(E)-1-phenylmethylidene]hydrazono}hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

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

4912-0935

Molecular Formula

C12H13N3O2S2 (C12 H13 N3 O2 S2)

Compound Name

2-{(E)-2-[(E)-1-phenylmethylidene]hydrazono}hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

IUPAC name

(2E)-2-[(2E)-2-(phenylmethylidene)hydrazin-1-ylidene]-hexahydro-5lambda6-thieno[34-d][13]thiazole-55-dione

SMILES

O=S(CC1N2)(CC1S/C2=N/N=C/c1ccccc1)=O

InChI

InChI=1S/C12H13N3O2S2/c16-19(17)7-10-11(8-19)18-12(14-10)15-13-6-9-4-2-1-3-5-9/h1-6,10-11H,7-8H2,(H,14,15)

InChI Key

CKWZPRNOZDFSSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00430611

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

295.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.205

Distribution Coefficient, logD

1.205

Water Solubility, LogSw

-2.19

Polar Surface Area

60.136

Acid Dissociation Constant (pKa)

16.09

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

4912-0935 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4912-0935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-0935?
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What is the minimum amount of 4912-0935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-0935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-0935
  • 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 4912-0935 available by request