8017-5131 Screening compound: 1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethan-1-one

8017-5131 Screening compound: 1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethan-1-one
8017-5131 Screening compound: 1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5131
1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethan-1-one

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

8017-5131

Molecular Formula

C24H22N4O3S2 (C24 H22 N4 O3 S2)

Compound Name

1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethan-1-one

IUPAC name

1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-(1H-13-benzodiazol-2-ylsulfanyl)ethan-1-one

SMILES

O=C(CSc1nc(cccc2)c2[nH]1)N(CC1)C(c2ccccc2)N1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C24H22N4O3S2/c29-22(17-32-24-25-20-13-7-8-14-21(20)26-24)27-15-16-28(23(27)18-9-3-1-4-10-18)33(30,31)19-11-5-2-6-12-19/h1-14,23H,15-17H2,(H,25,26)/t23-/m0/s1

InChI Key

MVDQGUMBQZTZSS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD06017492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.803

Distribution Coefficient, logD

3.779

Water Solubility, LogSw

-4.13

Polar Surface Area

65.904

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8017-5131 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 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 8017-5131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5131?
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What is the minimum amount of 8017-5131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5131
  • 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 8017-5131 available by request