3858-0295 Screening compound: N,N-diethyl-4-[1-(4-methylbenzoyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]aniline

3858-0295 Screening compound: N,N-diethyl-4-[1-(4-methylbenzoyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]aniline
3858-0295 Screening compound: N,N-diethyl-4-[1-(4-methylbenzoyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3858-0295
N,N-diethyl-4-[1-(4-methylbenzoyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]aniline

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

3858-0295

Molecular Formula

C28H33N3O3S (C28 H33 N3 O3 S)

Compound Name

N,N-diethyl-4-[1-(4-methylbenzoyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]aniline

IUPAC name

NN-diethyl-4-[1-(4-methylbenzoyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]aniline

SMILES

CCN(CC)c1ccc(C(N(CC2)C(c3ccc(C)cc3)=O)N2S(c2ccc(C)cc2)(=O)=O)cc1

InChI

InChI=1S/C28H33N3O3S/c1-5-29(6-2)25-15-13-23(14-16-25)27-30(28(32)24-11-7-21(3)8-12-24)19-20-31(27)35(33,34)26-17-9-22(4)10-18-26/h7-18,27H,5-6,19-20H2,1-4H3/t27-/m0/s1

InChI Key

KMEAFEKBHCKUJG-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01461639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.781

Distribution Coefficient, logD

5.445

Water Solubility, LogSw

-5.51

Polar Surface Area

51.154

Acid Dissociation Constant (pKa)

24.53

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

3858-0295 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 3858-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3858-0295?
Check Price and Availability of 3858-0295, 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 3858-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3858-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3858-0295
  • 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 3858-0295 available by request