4341-0037 Screening compound: 3-hydroxy-4-(4-methoxybenzoyl)-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

4341-0037 Screening compound: 3-hydroxy-4-(4-methoxybenzoyl)-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one
4341-0037 Screening compound: 3-hydroxy-4-(4-methoxybenzoyl)-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4341-0037
3-hydroxy-4-(4-methoxybenzoyl)-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)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

4341-0037

Molecular Formula

C28H34N2O5 (C28 H34 N2 O5)

Compound Name

3-hydroxy-4-(4-methoxybenzoyl)-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

3-hydroxy-4-(4-methoxybenzoyl)-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C)c1ccc(C(C(C(c(cc2)ccc2OC)=O)=C2O)N(CCCN3CCOCC3)C2=O)cc1

InChI

InChI=1S/C28H34N2O5/c1-19(2)20-5-7-21(8-6-20)25-24(26(31)22-9-11-23(34-3)12-10-22)27(32)28(33)30(25)14-4-13-29-15-17-35-18-16-29/h5-12,19,25,32H,4,13-18H2,1-3H3/t25-/m0/s1

InChI Key

YPIWATYFUDWSHR-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03008663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

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

3.768

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-3.91

Polar Surface Area

64.240

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

4341-0037 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 4341-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-0037?
Check Price and Availability of 4341-0037, 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 4341-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-0037
  • 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 4341-0037 available by request