5122-1644 Screening compound: 3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

5122-1644 Screening compound: 3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
5122-1644 Screening compound: 3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5122-1644
3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)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

5122-1644

Molecular Formula

C17H14ClN3O3S2 (C17 H14 ClN3 O3 S2)

Compound Name

3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

IUPAC name

3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-N-(5-methyl-12-oxazol-3-yl)propanamide

SMILES

Cc1cc(NC(CCN(C(/C(/S2)=C\c(cccc3)c3Cl)=O)C2=S)=O)no1

InChI

InChI=1S/C17H14ClN3O3S2/c1-10-8-14(20-24-10)19-15(22)6-7-21-16(23)13(26-17(21)25)9-11-4-2-3-5-12(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,20,22)

InChI Key

VTMVPNKJUHVFQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05033408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-4.17

Polar Surface Area

61.365

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

5122-1644 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5122-1644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5122-1644?
Check Price and Availability of 5122-1644, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5122-1644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5122-1644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5122-1644
  • 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 5122-1644 available by request