8010-3509 Screening compound: 4-benzoyl-3-hydroxy-5-(4-methylphenyl)-1-(pyrimidin-2-yl)-2,5-dihydro-1H-pyrrol-2-one

8010-3509 Screening compound: 4-benzoyl-3-hydroxy-5-(4-methylphenyl)-1-(pyrimidin-2-yl)-2,5-dihydro-1H-pyrrol-2-one
8010-3509 Screening compound: 4-benzoyl-3-hydroxy-5-(4-methylphenyl)-1-(pyrimidin-2-yl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3509
4-benzoyl-3-hydroxy-5-(4-methylphenyl)-1-(pyrimidin-2-yl)-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

8010-3509

Molecular Formula

C22H17N3O3 (C22 H17 N3 O3)

Compound Name

4-benzoyl-3-hydroxy-5-(4-methylphenyl)-1-(pyrimidin-2-yl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-benzoyl-3-hydroxy-5-(4-methylphenyl)-1-(pyrimidin-2-yl)-25-dihydro-1H-pyrrol-2-one

SMILES

Cc1ccc(C(C(C(c2ccccc2)=O)=C(C2=O)O)N2c2ncccn2)cc1

InChI

InChI=1S/C22H17N3O3/c1-14-8-10-15(11-9-14)18-17(19(26)16-6-3-2-4-7-16)20(27)21(28)25(18)22-23-12-5-13-24-22/h2-13,18,27H,1H3/t18-/m0/s1

InChI Key

YNELJTRIIVOXHH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01871951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

3.108

Water Solubility, LogSw

-3.35

Polar Surface Area

62.578

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

8010-3509 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8010-3509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3509?
Check Price and Availability of 8010-3509, 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 8010-3509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3509
  • 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 8010-3509 available by request