3782-0312 Screening compound: 4-[2-(4-methoxyphenyl)-3-(4-methylbenzenesulfonyl)imidazolidine-1-carbonyl]-3,5-bis(methylsulfanyl)-1,2-thiazole

3782-0312 Screening compound: 4-[2-(4-methoxyphenyl)-3-(4-methylbenzenesulfonyl)imidazolidine-1-carbonyl]-3,5-bis(methylsulfanyl)-1,2-thiazole
3782-0312 Screening compound: 4-[2-(4-methoxyphenyl)-3-(4-methylbenzenesulfonyl)imidazolidine-1-carbonyl]-3,5-bis(methylsulfanyl)-1,2-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3782-0312
4-[2-(4-methoxyphenyl)-3-(4-methylbenzenesulfonyl)imidazolidine-1-carbonyl]-3,5-bis(methylsulfanyl)-1,2-thiazole

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

3782-0312

Molecular Formula

C23H25N3O4S4 (C23 H25 N3 O4 S4)

Compound Name

4-[2-(4-methoxyphenyl)-3-(4-methylbenzenesulfonyl)imidazolidine-1-carbonyl]-3,5-bis(methylsulfanyl)-1,2-thiazole

IUPAC name

4-[2-(4-methoxyphenyl)-3-(4-methylbenzenesulfonyl)imidazolidine-1-carbonyl]-35-bis(methylsulfanyl)-12-thiazole

SMILES

Cc(cc1)ccc1S(N(CC1)C(c(cc2)ccc2OC)N1C(c1c(SC)snc1SC)=O)(=O)=O

InChI

InChI=1S/C23H25N3O4S4/c1-15-5-11-18(12-6-15)34(28,29)26-14-13-25(21(26)16-7-9-17(30-2)10-8-16)22(27)19-20(31-3)24-33-23(19)32-4/h5-12,21H,13-14H2,1-4H3/t21-/m0/s1

InChI Key

GNMAGRRMXYVRJJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02110943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.73

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.407

Distribution Coefficient, logD

5.407

Water Solubility, LogSw

-5.54

Polar Surface Area

66.585

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

3782-0312 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with 3782-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3782-0312?
Check Price and Availability of 3782-0312, 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 3782-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3782-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3782-0312
  • 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 3782-0312 available by request