8013-2076 Screening compound: 1,5-diphenyl-3-(phenylamino)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one

8013-2076 Screening compound: 1,5-diphenyl-3-(phenylamino)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
8013-2076 Screening compound: 1,5-diphenyl-3-(phenylamino)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2076
1,5-diphenyl-3-(phenylamino)-4-(thiophene-2-carbonyl)-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

8013-2076

Molecular Formula

C27H20N2O2S (C27 H20 N2 O2 S)

Compound Name

1,5-diphenyl-3-(phenylamino)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

15-diphenyl-3-(phenylamino)-4-(thiophene-2-carbonyl)-25-dihydro-1H-pyrrol-2-one

SMILES

O=C(C(C(c1ccccc1)N(C1=O)c2ccccc2)=C1Nc1ccccc1)c1cccs1

InChI

InChI=1S/C27H20N2O2S/c30-26(22-17-10-18-32-22)23-24(28-20-13-6-2-7-14-20)27(31)29(21-15-8-3-9-16-21)25(23)19-11-4-1-5-12-19/h1-18,25,28H/t25-/m1/s1

InChI Key

LYIAJHNBAJIGRX-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03763686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.608

Distribution Coefficient, logD

5.608

Water Solubility, LogSw

-5.85

Polar Surface Area

39.274

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

3.70

8013-2076 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-2076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2076?
Check Price and Availability of 8013-2076, 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 8013-2076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2076
  • 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 8013-2076 available by request