4340-2978 Screening compound: 3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-[4-(prop-2-en-1-yloxy)phenyl]-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

4340-2978 Screening compound: 3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-[4-(prop-2-en-1-yloxy)phenyl]-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
4340-2978 Screening compound: 3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-[4-(prop-2-en-1-yloxy)phenyl]-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-2978
3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-[4-(prop-2-en-1-yloxy)phenyl]-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

4340-2978

Molecular Formula

C25H22N2O5 (C25 H22 N2 O5)

Compound Name

3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-[4-(prop-2-en-1-yloxy)phenyl]-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-[4-(prop-2-en-1-yloxy)phenyl]-1-[(pyridin-3-yl)methyl]-25-dihydro-1H-pyrrol-2-one

SMILES

Cc1ccc(C(C(C(c(cc2)ccc2OCC=C)N(Cc2cnccc2)C2=O)=C2O)=O)o1

InChI

InChI=1S/C25H22N2O5/c1-3-13-31-19-9-7-18(8-10-19)22-21(23(28)20-11-6-16(2)32-20)24(29)25(30)27(22)15-17-5-4-12-26-14-17/h3-12,14,22,29H,1,13,15H2,2H3/t22-/m0/s1

InChI Key

AFEXFLLLDRYQOH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03016787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.004

Distribution Coefficient, logD

2.978

Water Solubility, LogSw

-2.62

Polar Surface Area

69.855

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

4340-2978 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4340-2978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-2978?
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What is the minimum amount of 4340-2978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-2978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-2978
  • 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 4340-2978 available by request