4340-2913 Screening compound: 5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

4340-2913 Screening compound: 5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
4340-2913 Screening compound: 5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-2913
5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-[(pyridin-3-yl)methyl]-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

4340-2913

Molecular Formula

C27H26N2O6 (C27 H26 N2 O6)

Compound Name

5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-[(pyridin-3-yl)methyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CCOc(ccc(C(C(C(c(cc1)ccc1OC)=O)=C1O)N(Cc2cnccc2)C1=O)c1)c1OC

InChI

InChI=1S/C27H26N2O6/c1-4-35-21-12-9-19(14-22(21)34-3)24-23(25(30)18-7-10-20(33-2)11-8-18)26(31)27(32)29(24)16-17-6-5-13-28-15-17/h5-15,24,31H,4,16H2,1-3H3/t24-/m0/s1

InChI Key

KDIZWUOPGXPPRJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03016774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.740

Distribution Coefficient, logD

2.737

Water Solubility, LogSw

-2.70

Polar Surface Area

76.729

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

4340-2913 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4340-2913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-2913?
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What is the minimum amount of 4340-2913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-2913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-2913
  • 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 4340-2913 available by request