8012-8865 Screening compound: ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrrole-3-carboxylate

8012-8865 Screening compound: ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrrole-3-carboxylate
8012-8865 Screening compound: ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8865
ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrrole-3-carboxylate

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

8012-8865

Molecular Formula

C19H17NO4 (C19 H17 NO4)

Compound Name

ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 4-hydroxy-5-oxo-12-diphenyl-25-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCOC(C(C(c1ccccc1)N(C1=O)c2ccccc2)=C1O)=O

InChI

InChI=1S/C19H17NO4/c1-2-24-19(23)15-16(13-9-5-3-6-10-13)20(18(22)17(15)21)14-11-7-4-8-12-14/h3-12,16,21H,2H2,1H3/t16-/m0/s1

InChI Key

NHWAAZXZONZXPH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00220130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.850

Distribution Coefficient, logD

2.847

Water Solubility, LogSw

-3.04

Polar Surface Area

51.502

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.79

8012-8865 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-8865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8865?
Check Price and Availability of 8012-8865, 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 8012-8865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8865
  • 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 8012-8865 available by request