4444-0127 Screening compound: 1,3-bis(4-methylbenzenesulfonyl)-2-(propan-2-yl)imidazolidine

4444-0127 Screening compound: 1,3-bis(4-methylbenzenesulfonyl)-2-(propan-2-yl)imidazolidine
4444-0127 Screening compound: 1,3-bis(4-methylbenzenesulfonyl)-2-(propan-2-yl)imidazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4444-0127
1,3-bis(4-methylbenzenesulfonyl)-2-(propan-2-yl)imidazolidine

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

4444-0127

Molecular Formula

C20H26N2O4S2 (C20 H26 N2 O4 S2)

Compound Name

1,3-bis(4-methylbenzenesulfonyl)-2-(propan-2-yl)imidazolidine

IUPAC name

13-bis(4-methylbenzenesulfonyl)-2-(propan-2-yl)imidazolidine

SMILES

CC(C)C(N(CC1)S(c2ccc(C)cc2)(=O)=O)N1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C20H26N2O4S2/c1-15(2)20-21(27(23,24)18-9-5-16(3)6-10-18)13-14-22(20)28(25,26)19-11-7-17(4)8-12-19/h5-12,15,20H,13-14H2,1-4H3

InChI Key

WWZYRBXWUNKWFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00713763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.533

Water Solubility, LogSw

-4.12

Polar Surface Area

64.529

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4444-0127 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4444-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4444-0127?
Check Price and Availability of 4444-0127, 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 4444-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4444-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4444-0127
  • 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 4444-0127 available by request