6247-0229 Screening compound: 4-(1-benzofuran-2-carbonyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one

6247-0229 Screening compound: 4-(1-benzofuran-2-carbonyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one
6247-0229 Screening compound: 4-(1-benzofuran-2-carbonyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6247-0229
4-(1-benzofuran-2-carbonyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-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

6247-0229

Molecular Formula

C28H30N2O7 (C28 H30 N2 O7)

Compound Name

4-(1-benzofuran-2-carbonyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(1-benzofuran-2-carbonyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CCOc(ccc(C(C(C(c1cc(cccc2)c2o1)=O)=C1O)N(CCN2CCOCC2)C1=O)c1)c1OC

InChI

InChI=1S/C28H30N2O7/c1-3-36-21-9-8-19(17-22(21)34-2)25-24(26(31)23-16-18-6-4-5-7-20(18)37-23)27(32)28(33)30(25)11-10-29-12-14-35-15-13-29/h4-9,16-17,25,32H,3,10-15H2,1-2H3/t25-/m0/s1

InChI Key

SVEADNYQHLBLRO-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03509144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.151

Distribution Coefficient, logD

3.129

Water Solubility, LogSw

-3.24

Polar Surface Area

79.830

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

6247-0229 in Drug Discovery

Included in Screening Libraries

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

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 6247-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6247-0229?
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What is the minimum amount of 6247-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6247-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6247-0229
  • 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 6247-0229 available by request