4988-0488 Screening compound: (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

4988-0488 Screening compound: (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one
4988-0488 Screening compound: (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4988-0488
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

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

4988-0488

Molecular Formula

C13H14N2OS2 (C13 H14 N2 OS2)

Compound Name

(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-(pyrrolidin-1-yl)-45-dihydro-13-thiazol-4-one

SMILES

Cc1c(/C=C2\SC(N3CCCC3)=NC2=O)scc1

InChI

InChI=1S/C13H14N2OS2/c1-9-4-7-17-10(9)8-11-12(16)14-13(18-11)15-5-2-3-6-15/h4,7-8H,2-3,5-6H2,1H3

InChI Key

UAZBHYPLYLGFEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.155

Distribution Coefficient, logD

3.155

Water Solubility, LogSw

-3.06

Polar Surface Area

26.979

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 4988-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4988-0488?
Check Price and Availability of 4988-0488, 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 4988-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4988-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4988-0488
  • 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 4988-0488 available by request