4424-0797 Screening compound: 1-[3-(dimethylamino)propyl]-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

4424-0797 Screening compound: 1-[3-(dimethylamino)propyl]-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one
4424-0797 Screening compound: 1-[3-(dimethylamino)propyl]-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-0797
1-[3-(dimethylamino)propyl]-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-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

4424-0797

Molecular Formula

C29H38N2O4 (C29 H38 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)cc(C)c1C(C(C(c1ccc(C(C)C)cc1)N(CCCN(C)C)C1=O)=C1O)=O

InChI

InChI=1S/C29H38N2O4/c1-7-17-35-23-13-14-24(20(4)18-23)27(32)25-26(22-11-9-21(10-12-22)19(2)3)31(29(34)28(25)33)16-8-15-30(5)6/h9-14,18-19,26,33H,7-8,15-17H2,1-6H3/t26-/m0/s1

InChI Key

XZPOMSFPDCVQKA-SANMLTNESA-N

MDL Number (MFCD)

MFCD03226072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-5.21

Polar Surface Area

56.360

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

4424-0797 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 4424-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0797?
Check Price and Availability of 4424-0797, 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 4424-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0797
  • 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 4424-0797 available by request