D128-0181 Screening compound: N~1~-[3-(2-ethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden]-2-methylpropanamide

D128-0181 Screening compound: N~1~-[3-(2-ethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden]-2-methylpropanamide
D128-0181 Screening compound: N~1~-[3-(2-ethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D128-0181
N~1~-[3-(2-ethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden]-2-methylpropanamide

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

D128-0181

Molecular Formula

C17H22N2O4S2 (C17 H22 N2 O4 S2)

Compound Name

N~1~-[3-(2-ethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden]-2-methylpropanamide

IUPAC name

N-[(2Z)-3-(2-ethoxyphenyl)-55-dioxo-hexahydro-5lambda6-thieno[34-d][13]thiazol-2-ylidene]-2-methylpropanamide

SMILES

CCOc(cccc1)c1N(C(CS(C1)(=O)=O)C1S1)/C1=N/C(C(C)C)=O

InChI

InChI=1S/C17H22N2O4S2/c1-4-23-14-8-6-5-7-12(14)19-13-9-25(21,22)10-15(13)24-17(19)18-16(20)11(2)3/h5-8,11,13,15H,4,9-10H2,1-3H3

InChI Key

VKHCPXLICIZALZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06608774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.029

Distribution Coefficient, logD

2.029

Water Solubility, LogSw

-2.45

Polar Surface Area

60.811

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

D128-0181 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D128-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D128-0181?
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What is the minimum amount of D128-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D128-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D128-0181
  • 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 D128-0181 available by request