8014-8191 Screening compound: 1-(4-butylphenyl)-3-[(4-butylphenyl)amino]-5-(4-fluorophenyl)-2,5-dihydro-1H-pyrrol-2-one

8014-8191 Screening compound: 1-(4-butylphenyl)-3-[(4-butylphenyl)amino]-5-(4-fluorophenyl)-2,5-dihydro-1H-pyrrol-2-one
8014-8191 Screening compound: 1-(4-butylphenyl)-3-[(4-butylphenyl)amino]-5-(4-fluorophenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8191
1-(4-butylphenyl)-3-[(4-butylphenyl)amino]-5-(4-fluorophenyl)-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

8014-8191

Molecular Formula

C30H33FN2O (C30 H33 FN2 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCc(cc1)ccc1NC(C1=O)=CC(c(cc2)ccc2F)N1c1ccc(CCCC)cc1

InChI

InChI=1S/C30H33FN2O/c1-3-5-7-22-9-17-26(18-10-22)32-28-21-29(24-13-15-25(31)16-14-24)33(30(28)34)27-19-11-23(12-20-27)8-6-4-2/h9-21,29,32H,3-8H2,1-2H3/t29-/m0/s1

InChI Key

DJXSTJICRAWNIW-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD03820181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.6

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.796

Distribution Coefficient, logD

8.796

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

8014-8191 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8014-8191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8191?
Check Price and Availability of 8014-8191, 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 8014-8191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8191
  • 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 8014-8191 available by request