3042-5165 Screening compound: ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate

3042-5165 Screening compound: ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
3042-5165 Screening compound: ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3042-5165
ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate

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

3042-5165

Molecular Formula

C28H25NO6 (C28 H25 NO6)

Compound Name

ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate

IUPAC name

ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(4-methylphenyl)-2-oxo-25-dihydro-1H-pyrrol-1-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C(C(c(cc1)ccc1OC)=O)=C1O)c2ccc(C)cc2)C1=O)=O

InChI

InChI=1S/C28H25NO6/c1-4-35-28(33)20-9-13-21(14-10-20)29-24(18-7-5-17(2)6-8-18)23(26(31)27(29)32)25(30)19-11-15-22(34-3)16-12-19/h5-16,24,31H,4H2,1-3H3/t24-/m0/s1

InChI Key

VJMSYFNLWOSJEZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01816266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.044

Distribution Coefficient, logD

5.043

Water Solubility, LogSw

-4.47

Polar Surface Area

72.513

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-7.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

3042-5165 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3042-5165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3042-5165?
Check Price and Availability of 3042-5165, 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 3042-5165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3042-5165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3042-5165
  • 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 3042-5165 available by request