8015-0105 Screening compound: 4-benzoyl-1-[3-(hexyloxy)phenyl]-3-hydroxy-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

8015-0105 Screening compound: 4-benzoyl-1-[3-(hexyloxy)phenyl]-3-hydroxy-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one
8015-0105 Screening compound: 4-benzoyl-1-[3-(hexyloxy)phenyl]-3-hydroxy-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0105
4-benzoyl-1-[3-(hexyloxy)phenyl]-3-hydroxy-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-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

8015-0105

Molecular Formula

C32H35NO4 (C32 H35 NO4)

Compound Name

4-benzoyl-1-[3-(hexyloxy)phenyl]-3-hydroxy-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-benzoyl-1-[3-(hexyloxy)phenyl]-3-hydroxy-5-[4-(propan-2-yl)phenyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CCCCCCOc1cccc(N(C(C(C(c2ccccc2)=O)=C2O)c3ccc(C(C)C)cc3)C2=O)c1

InChI

InChI=1S/C32H35NO4/c1-4-5-6-10-20-37-27-15-11-14-26(21-27)33-29(24-18-16-23(17-19-24)22(2)3)28(31(35)32(33)36)30(34)25-12-8-7-9-13-25/h7-9,11-19,21-22,29,35H,4-6,10,20H2,1-3H3/t29-/m0/s1

InChI Key

XXEUMSXFRHSRPI-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD03821647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.946

Distribution Coefficient, logD

7.945

Water Solubility, LogSw

-5.54

Polar Surface Area

51.633

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-5.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

8015-0105 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

MCL1 Targeted Library (12200 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8015-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0105?
Check Price and Availability of 8015-0105, 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 8015-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0105
  • 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 8015-0105 available by request