3788-0076 Screening compound: 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)benzamide

3788-0076 Screening compound: 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)benzamide
3788-0076 Screening compound: 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-0076
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)benzamide

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

3788-0076

Molecular Formula

C26H25ClN2O2S2 (C26 H25 ClN2 O2 S2)

Compound Name

4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)benzamide

IUPAC name

4-(3-benzyl-4-oxo-13-thiazolidin-2-yl)-N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)benzamide

SMILES

O=C(c1ccc(C(N2Cc3ccccc3)SCC2=O)cc1)NCCSCc1cccc(Cl)c1

InChI

InChI=1S/C26H25ClN2O2S2/c27-23-8-4-7-20(15-23)17-32-14-13-28-25(31)21-9-11-22(12-10-21)26-29(24(30)18-33-26)16-19-5-2-1-3-6-19/h1-12,15,26H,13-14,16-18H2,(H,28,31)/t26-/m0/s1

InChI Key

MLHLVLXRZOHQNQ-SANMLTNESA-N

MDL Number (MFCD)

MFCD02806379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.08

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.171

Distribution Coefficient, logD

5.171

Water Solubility, LogSw

-5.87

Polar Surface Area

40.999

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

3788-0076 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 3788-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-0076?
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What is the minimum amount of 3788-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-0076
  • 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 3788-0076 available by request