D128-0362 Screening compound: 4-{[3-(4-chlorobenzyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden]amino}-4-oxobutanoic acid

D128-0362 Screening compound: 4-{[3-(4-chlorobenzyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden]amino}-4-oxobutanoic acid
D128-0362 Screening compound: 4-{[3-(4-chlorobenzyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden]amino}-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D128-0362
4-{[3-(4-chlorobenzyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden]amino}-4-oxobutanoic acid

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

D128-0362

Molecular Formula

C16H17ClN2O5S2 (C16 H17 ClN2 O5 S2)

Compound Name

4-{[3-(4-chlorobenzyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yliden]amino}-4-oxobutanoic acid

IUPAC name

3-{[(2Z)-3-[(4-chlorophenyl)methyl]-55-dioxo-hexahydro-5lambda6-thieno[34-d][13]thiazol-2-ylidene]carbamoyl}propanoic acid

SMILES

OC(CCC(/N=C1\SC(CS(C2)(=O)=O)C2N1Cc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C16H17ClN2O5S2/c17-11-3-1-10(2-4-11)7-19-12-8-26(23,24)9-13(12)25-16(19)18-14(20)5-6-15(21)22/h1-4,12-13H,5-9H2,(H,21,22)

InChI Key

BGFZWJUQGDMKOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06603238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.91

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.802

Distribution Coefficient, logD

-2.147

Water Solubility, LogSw

-2.35

Polar Surface Area

82.683

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with D128-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D128-0362?
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What is the minimum amount of D128-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D128-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D128-0362
  • 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 D128-0362 available by request