4386-4191 Screening compound: 1-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-3-methoxyurea

4386-4191 Screening compound: 1-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-3-methoxyurea
4386-4191 Screening compound: 1-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-3-methoxyurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-4191
1-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-3-methoxyurea

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

4386-4191

Molecular Formula

C7H11N3O2S2 (C7 H11 N3 O2 S2)

Compound Name

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

IUPAC name

1-(34-dimethyl-2-sulfanylidene-23-dihydro-13-thiazol-5-yl)-3-methoxyurea

SMILES

CC(N1C)=C(NC(NOC)=O)SC1=S

InChI

InChI=1S/C7H11N3O2S2/c1-4-5(8-6(11)9-12-3)14-7(13)10(4)2/h1-3H3,(H2,8,9,11)

InChI Key

GXKIRCCTPPEEPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02232277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.455

Distribution Coefficient, logD

0.453

Water Solubility, LogSw

-1.90

Polar Surface Area

44.032

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

4386-4191 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4386-4191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-4191?
Check Price and Availability of 4386-4191, 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 4386-4191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-4191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-4191
  • 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 4386-4191 available by request