2813-0292 Screening compound: 4-[1-benzoyl-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-N,N-dimethylaniline

2813-0292 Screening compound: 4-[1-benzoyl-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-N,N-dimethylaniline
2813-0292 Screening compound: 4-[1-benzoyl-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2813-0292
4-[1-benzoyl-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-N,N-dimethylaniline

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

2813-0292

Molecular Formula

C25H27N3O3S (C25 H27 N3 O3 S)

Compound Name

4-[1-benzoyl-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-N,N-dimethylaniline

IUPAC name

4-[1-benzoyl-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-NN-dimethylaniline

SMILES

Cc(cc1)ccc1S(N(CC1)C(c(cc2)ccc2N(C)C)N1C(c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C25H27N3O3S/c1-19-9-15-23(16-10-19)32(30,31)28-18-17-27(25(29)21-7-5-4-6-8-21)24(28)20-11-13-22(14-12-20)26(2)3/h4-16,24H,17-18H2,1-3H3/t24-/m0/s1

InChI Key

BKWMDOOEJAGBPS-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01892254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.532

Distribution Coefficient, logD

4.515

Water Solubility, LogSw

-4.18

Polar Surface Area

51.223

Acid Dissociation Constant (pKa)

24.53

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

2813-0292 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 2813-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2813-0292?
Check Price and Availability of 2813-0292, 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 2813-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2813-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2813-0292
  • 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 2813-0292 available by request