3858-0300 Screening compound: N,N-diethyl-4-[1-(4-methylbenzenesulfonyl)-3-(4-nitrobenzoyl)imidazolidin-2-yl]aniline

3858-0300 Screening compound: N,N-diethyl-4-[1-(4-methylbenzenesulfonyl)-3-(4-nitrobenzoyl)imidazolidin-2-yl]aniline
3858-0300 Screening compound: N,N-diethyl-4-[1-(4-methylbenzenesulfonyl)-3-(4-nitrobenzoyl)imidazolidin-2-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3858-0300
N,N-diethyl-4-[1-(4-methylbenzenesulfonyl)-3-(4-nitrobenzoyl)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

3858-0300

Molecular Formula

C27H30N4O5S (C27 H30 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1ccc(C(N(CC2)C(c(cc3)ccc3[N+]([O-])=O)=O)N2S(c2ccc(C)cc2)(=O)=O)cc1

InChI

InChI=1S/C27H30N4O5S/c1-4-28(5-2)23-12-8-21(9-13-23)26-29(27(32)22-10-14-24(15-11-22)31(33)34)18-19-30(26)37(35,36)25-16-6-20(3)7-17-25/h6-17,26H,4-5,18-19H2,1-3H3/t26-/m0/s1

InChI Key

OIFVNMSXZNMERM-SANMLTNESA-N

MDL Number (MFCD)

MFCD02928578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.283

Distribution Coefficient, logD

4.948

Water Solubility, LogSw

-5.17

Polar Surface Area

84.536

Acid Dissociation Constant (pKa)

24.53

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

3858-0300 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3858-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3858-0300?
Check Price and Availability of 3858-0300, 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 3858-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3858-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3858-0300
  • 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 3858-0300 available by request