D128-0321 Screening compound: 3-(2-ethyl-6-methylphenyl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

D128-0321 Screening compound: 3-(2-ethyl-6-methylphenyl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
D128-0321 Screening compound: 3-(2-ethyl-6-methylphenyl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D128-0321
3-(2-ethyl-6-methylphenyl)-2-iminohexahydro-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

D128-0321

Molecular Formula

C14H18N2O2S2 (C14 H18 N2 O2 S2)

Compound Name

3-(2-ethyl-6-methylphenyl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

IUPAC name

3-(2-ethyl-6-methylphenyl)-2-imino-hexahydro-5lambda6-thieno[34-d][13]thiazole-55-dione

SMILES

CCc(cccc1C)c1N(C(CS(C1)(=O)=O)C1S1)C1=N

InChI

InChI=1S/C14H18N2O2S2/c1-3-10-6-4-5-9(2)13(10)16-11-7-20(17,18)8-12(11)19-14(16)15/h4-6,11-12,15H,3,7-8H2,1-2H3

InChI Key

NSRKZZXYNPJBJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06644817

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

310.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.350

Distribution Coefficient, logD

2.345

Water Solubility, LogSw

-2.63

Polar Surface Area

47.965

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

D128-0321 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D128-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D128-0321?
Check Price and Availability of D128-0321, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D128-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D128-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D128-0321
  • 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 D128-0321 available by request