5508-0145 Screening compound: 3-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-1-(4-methylphenyl)urea

5508-0145 Screening compound: 3-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-1-(4-methylphenyl)urea
5508-0145 Screening compound: 3-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-1-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5508-0145
3-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-1-(4-methylphenyl)urea

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

5508-0145

Molecular Formula

C13H15N3OS2 (C13 H15 N3 OS2)

Compound Name

3-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-1-(4-methylphenyl)urea

IUPAC name

3-(34-dimethyl-2-sulfanylidene-23-dihydro-13-thiazol-5-yl)-1-(4-methylphenyl)urea

SMILES

CC(N1C)=C(NC(Nc2ccc(C)cc2)=O)SC1=S

InChI

InChI=1S/C13H15N3OS2/c1-8-4-6-10(7-5-8)14-12(17)15-11-9(2)16(3)13(18)19-11/h4-7H,1-3H3,(H2,14,15,17)

InChI Key

NCGBZZHSHDAIDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03502257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.417

Distribution Coefficient, logD

3.416

Water Solubility, LogSw

-3.68

Polar Surface Area

34.279

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5508-0145 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 5508-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5508-0145?
Check Price and Availability of 5508-0145, 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 5508-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5508-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5508-0145
  • 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 5508-0145 available by request