8017-7846 Screening compound: 1-[2-phenyl-3-(phenylsulfonyl)-1-imidazolidinyl]-2-(2-pyridylsulfanyl)-1-ethanone

8017-7846 Screening compound: 1-[2-phenyl-3-(phenylsulfonyl)-1-imidazolidinyl]-2-(2-pyridylsulfanyl)-1-ethanone
8017-7846 Screening compound: 1-[2-phenyl-3-(phenylsulfonyl)-1-imidazolidinyl]-2-(2-pyridylsulfanyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7846
1-[2-phenyl-3-(phenylsulfonyl)-1-imidazolidinyl]-2-(2-pyridylsulfanyl)-1-ethanone

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

8017-7846

Molecular Formula

C22H21N3O3S2 (C22 H21 N3 O3 S2)

Compound Name

1-[2-phenyl-3-(phenylsulfonyl)-1-imidazolidinyl]-2-(2-pyridylsulfanyl)-1-ethanone

IUPAC name

1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-(pyridin-2-ylsulfanyl)ethan-1-one

SMILES

O=C(CSc1ncccc1)N(CC1)C(c2ccccc2)N1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C22H21N3O3S2/c26-21(17-29-20-13-7-8-14-23-20)24-15-16-25(22(24)18-9-3-1-4-10-18)30(27,28)19-11-5-2-6-12-19/h1-14,22H,15-17H2/t22-/m0/s1

InChI Key

ARPKSTAOBUMYBN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06618186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

3.396

Water Solubility, LogSw

-3.64

Polar Surface Area

56.299

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.18

8017-7846 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8017-7846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7846?
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What is the minimum amount of 8017-7846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7846
  • 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 8017-7846 available by request