8009-4243 Screening compound: {2-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}(phenyl)methanone

8009-4243 Screening compound: {2-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}(phenyl)methanone
8009-4243 Screening compound: {2-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}(phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4243
{2-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}(phenyl)methanone

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

8009-4243

Molecular Formula

C27H31N3O3S (C27 H31 N3 O3 S)

Compound Name

{2-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}(phenyl)methanone

IUPAC name

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

SMILES

CCN(CC)c1ccc(C(N(CC2)C(c3ccccc3)=O)N2S(c2ccc(C)cc2)(=O)=O)cc1

InChI

InChI=1S/C27H31N3O3S/c1-4-28(5-2)24-15-13-22(14-16-24)26-29(27(31)23-9-7-6-8-10-23)19-20-30(26)34(32,33)25-17-11-21(3)12-18-25/h6-18,26H,4-5,19-20H2,1-3H3/t26-/m0/s1

InChI Key

AZATWOHXMFQLHX-SANMLTNESA-N

MDL Number (MFCD)

MFCD01572131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

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

5.253

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-5.12

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

29.63

8009-4243 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-4243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4243?
Check Price and Availability of 8009-4243, 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 8009-4243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4243
  • 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 8009-4243 available by request