8009-9997 Screening compound: 5-(4-tert-butylphenyl)-1-(4-ethylphenyl)-3-[(4-ethylphenyl)amino]-2,5-dihydro-1H-pyrrol-2-one

8009-9997 Screening compound: 5-(4-tert-butylphenyl)-1-(4-ethylphenyl)-3-[(4-ethylphenyl)amino]-2,5-dihydro-1H-pyrrol-2-one
8009-9997 Screening compound: 5-(4-tert-butylphenyl)-1-(4-ethylphenyl)-3-[(4-ethylphenyl)amino]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9997
5-(4-tert-butylphenyl)-1-(4-ethylphenyl)-3-[(4-ethylphenyl)amino]-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

8009-9997

Molecular Formula

C30H34N2O (C30 H34 N2 O)

Compound Name

5-(4-tert-butylphenyl)-1-(4-ethylphenyl)-3-[(4-ethylphenyl)amino]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

5-(4-tert-butylphenyl)-1-(4-ethylphenyl)-3-[(4-ethylphenyl)amino]-25-dihydro-1H-pyrrol-2-one

SMILES

CCc(cc1)ccc1NC(C1=O)=CC(c2ccc(C(C)(C)C)cc2)N1c1ccc(CC)cc1

InChI

InChI=1S/C30H34N2O/c1-6-21-8-16-25(17-9-21)31-27-20-28(23-12-14-24(15-13-23)30(3,4)5)32(29(27)33)26-18-10-22(7-2)11-19-26/h8-20,28,31H,6-7H2,1-5H3/t28-/m1/s1

InChI Key

XVYDULKZBDZJAA-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD02110262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.61

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.485

Distribution Coefficient, logD

8.485

Water Solubility, LogSw

-5.81

Polar Surface Area

25.729

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8009-9997 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with 8009-9997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9997?
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What is the minimum amount of 8009-9997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9997
  • 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 8009-9997 available by request