4424-1040 Screening compound: 5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one

4424-1040 Screening compound: 5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one
4424-1040 Screening compound: 5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-1040
5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-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

4424-1040

Molecular Formula

C31H40N2O4 (C31 H40 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)CCN(C(C(C(c(cc1)c(C)cc1OCC=C)=O)=C1O)c2ccc(C(C)(C)C)cc2)C1=O

InChI

InChI=1S/C31H40N2O4/c1-8-19-37-24-15-16-25(21(4)20-24)28(34)26-27(22-11-13-23(14-12-22)31(5,6)7)33(30(36)29(26)35)18-17-32(9-2)10-3/h8,11-16,20,27,35H,1,9-10,17-19H2,2-7H3/t27-/m0/s1

InChI Key

BRLLFGKJWZKNMW-MHZLTWQESA-N

MDL Number (MFCD)

MFCD03461849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.268

Distribution Coefficient, logD

5.162

Water Solubility, LogSw

-5.41

Polar Surface Area

55.906

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.90

4424-1040 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 4424-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-1040?
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What is the minimum amount of 4424-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-1040
  • 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 4424-1040 available by request