8412-0885 Screening compound: 3-(benzylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione

8412-0885 Screening compound: 3-(benzylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
8412-0885 Screening compound: 3-(benzylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8412-0885
3-(benzylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione

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

8412-0885

Molecular Formula

C17H15ClN2O2 (C17 H15 ClN2 O2)

Compound Name

3-(benzylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione

IUPAC name

3-(benzylamino)-1-(3-chlorophenyl)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)NCc2ccccc2)N1c1cccc(Cl)c1

InChI

InChI=1S/C17H15ClN2O2/c18-13-7-4-8-14(9-13)20-16(21)10-15(17(20)22)19-11-12-5-2-1-3-6-12/h1-9,15,19H,10-11H2/t15-/m1/s1

InChI Key

RUDRBQOSESVMRS-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00774997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.614

Distribution Coefficient, logD

1.614

Water Solubility, LogSw

-2.47

Polar Surface Area

40.909

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

8412-0885 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8412-0885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8412-0885?
Check Price and Availability of 8412-0885, 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 8412-0885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8412-0885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8412-0885
  • 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 8412-0885 available by request