6247-0157 Screening compound: 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one

6247-0157 Screening compound: 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one
6247-0157 Screening compound: 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6247-0157
4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-[4-(prop-2-en-1-yloxy)phenyl]-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

6247-0157

Molecular Formula

C26H26N2O5 (C26 H26 N2 O5)

Compound Name

4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-[4-(prop-2-en-1-yloxy)phenyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CN(C)CCN(C(C(C(c1cc(cccc2)c2o1)=O)=C1O)c(cc2)ccc2OCC=C)C1=O

InChI

InChI=1S/C26H26N2O5/c1-4-15-32-19-11-9-17(10-12-19)23-22(25(30)26(31)28(23)14-13-27(2)3)24(29)21-16-18-7-5-6-8-20(18)33-21/h4-12,16,23,30H,1,13-15H2,2-3H3/t23-/m0/s1

InChI Key

GRYSOEOOKRZYEF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03509352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

3.181

Water Solubility, LogSw

-4.04

Polar Surface Area

64.653

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

6247-0157 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6247-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6247-0157?
Check Price and Availability of 6247-0157, 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 6247-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6247-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6247-0157
  • 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 6247-0157 available by request