D128-0113 Screening compound: N~1~-(5,5-dioxo-3-phenethylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-2-methylpropanamide

D128-0113 Screening compound: N~1~-(5,5-dioxo-3-phenethylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-2-methylpropanamide
D128-0113 Screening compound: N~1~-(5,5-dioxo-3-phenethylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D128-0113
N~1~-(5,5-dioxo-3-phenethylhexahydro-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

D128-0113

Molecular Formula

C17H22N2O3S2 (C17 H22 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(/N=C1\SC(CS(C2)(=O)=O)C2N1CCc1ccccc1)=O

InChI

InChI=1S/C17H22N2O3S2/c1-12(2)16(20)18-17-19(9-8-13-6-4-3-5-7-13)14-10-24(21,22)11-15(14)23-17/h3-7,12,14-15H,8-11H2,1-2H3

InChI Key

QEQGMMLFPOYAEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06644755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.155

Distribution Coefficient, logD

2.155

Water Solubility, LogSw

-2.34

Polar Surface Area

54.491

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with D128-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D128-0113?
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What is the minimum amount of D128-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D128-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D128-0113
  • 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 D128-0113 available by request