6247-0196 Screening compound: 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one

6247-0196 Screening compound: 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one
6247-0196 Screening compound: 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6247-0196
4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-1-[3-(morpholin-4-yl)propyl]-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

6247-0196

Molecular Formula

C27H28N2O6 (C27 H28 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(C(C(c2cc(cccc3)c3o2)=O)=C2O)N(CCCN3CCOCC3)C2=O)c1

InChI

InChI=1S/C27H28N2O6/c1-33-20-8-4-7-19(16-20)24-23(25(30)22-17-18-6-2-3-9-21(18)35-22)26(31)27(32)29(24)11-5-10-28-12-14-34-15-13-28/h2-4,6-9,16-17,24,31H,5,10-15H2,1H3/t24-/m0/s1

InChI Key

LUJBINAWIPTVCG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03509293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.117

Water Solubility, LogSw

-3.42

Polar Surface Area

72.533

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

6247-0196 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 6247-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6247-0196?
Check Price and Availability of 6247-0196, 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 6247-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6247-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6247-0196
  • 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 6247-0196 available by request