D128-0109 Screening compound: N~1~-(5,5-dioxo-3-phenethylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)propanamide

D128-0109 Screening compound: N~1~-(5,5-dioxo-3-phenethylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)propanamide
D128-0109 Screening compound: N~1~-(5,5-dioxo-3-phenethylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D128-0109
N~1~-(5,5-dioxo-3-phenethylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden)propanamide

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

D128-0109

Molecular Formula

C16H20N2O3S2 (C16 H20 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H20N2O3S2/c1-2-15(19)17-16-18(9-8-12-6-4-3-5-7-12)13-10-23(20,21)11-14(13)22-16/h3-7,13-14H,2,8-11H2,1H3

InChI Key

RHFYSGAMOHVKMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06644753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

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

1.806

Distribution Coefficient, logD

1.806

Water Solubility, LogSw

-2.15

Polar Surface Area

54.278

Acid Dissociation Constant (pKa)

15.53

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D128-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D128-0109?
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What is the minimum amount of D128-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D128-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D128-0109
  • 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 D128-0109 available by request