4424-0442 Screening compound: 5-(4-tert-butylphenyl)-3-hydroxy-4-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one

4424-0442 Screening compound: 5-(4-tert-butylphenyl)-3-hydroxy-4-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one
4424-0442 Screening compound: 5-(4-tert-butylphenyl)-3-hydroxy-4-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-0442
5-(4-tert-butylphenyl)-3-hydroxy-4-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-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

4424-0442

Molecular Formula

C32H40N2O5 (C32 H40 N2 O5)

Compound Name

5-(4-tert-butylphenyl)-3-hydroxy-4-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

5-(4-tert-butylphenyl)-3-hydroxy-4-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1-[3-(morpholin-4-yl)propyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C)(C)c1ccc(C(C(C(c(cc2)cc(C)c2OCC=C)=O)=C2O)N(CCCN3CCOCC3)C2=O)cc1

InChI

InChI=1S/C32H40N2O5/c1-6-18-39-26-13-10-24(21-22(26)2)29(35)27-28(23-8-11-25(12-9-23)32(3,4)5)34(31(37)30(27)36)15-7-14-33-16-19-38-20-17-33/h6,8-13,21,28,36H,1,7,14-20H2,2-5H3/t28-/m0/s1

InChI Key

XUOOPKKUYXYYJF-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD03696129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.591

Distribution Coefficient, logD

5.416

Water Solubility, LogSw

-5.30

Polar Surface Area

64.201

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

4424-0442 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 4424-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0442?
Check Price and Availability of 4424-0442, 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 4424-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0442
  • 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 4424-0442 available by request