D128-0543 Screening compound: N~1~-(3-allyl-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-2,2-dimethylpropanamide

D128-0543 Screening compound: N~1~-(3-allyl-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-2,2-dimethylpropanamide
D128-0543 Screening compound: N~1~-(3-allyl-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D128-0543
N~1~-(3-allyl-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)-2,2-dimethylpropanamide

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

D128-0543

Molecular Formula

C13H20N2O3S2 (C13 H20 N2 O3 S2)

Compound Name

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

IUPAC name

N-[(2E)-55-dioxo-3-(prop-2-en-1-yl)-hexahydro-5lambda6-thieno[34-d][13]thiazol-2-ylidene]-22-dimethylpropanamide

SMILES

CC(C)(C)C(/N=C1/SC(CS(C2)(=O)=O)C2N1CC=C)=O

InChI

InChI=1S/C13H20N2O3S2/c1-5-6-15-9-7-20(17,18)8-10(9)19-12(15)14-11(16)13(2,3)4/h5,9-10H,1,6-8H2,2-4H3

InChI Key

AREHHMRUUCSVOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13815886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.349

Distribution Coefficient, logD

1.349

Water Solubility, LogSw

-1.57

Polar Surface Area

54.763

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

69.20

D128-0543 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 D128-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D128-0543?
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What is the minimum amount of D128-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D128-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D128-0543
  • 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 D128-0543 available by request