8191-1649 Screening compound: 3-[(adamantan-1-yl)amino]-1-(2H-1,3-benzodioxol-5-yl)pyrrolidine-2,5-dione

8191-1649 Screening compound: 3-[(adamantan-1-yl)amino]-1-(2H-1,3-benzodioxol-5-yl)pyrrolidine-2,5-dione
8191-1649 Screening compound: 3-[(adamantan-1-yl)amino]-1-(2H-1,3-benzodioxol-5-yl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8191-1649
3-[(adamantan-1-yl)amino]-1-(2H-1,3-benzodioxol-5-yl)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

8191-1649

Molecular Formula

C21H24N2O4 (C21 H24 N2 O4)

Compound Name

3-[(adamantan-1-yl)amino]-1-(2H-1,3-benzodioxol-5-yl)pyrrolidine-2,5-dione

IUPAC name

3-[(adamantan-1-yl)amino]-1-(2H-13-benzodioxol-5-yl)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)NC2(CC(C3)C4)CC4CC3C2)N1c(cc1)cc2c1OCO2

InChI

InChI=1S/C21H24N2O4/c24-19-7-16(22-21-8-12-3-13(9-21)5-14(4-12)10-21)20(25)23(19)15-1-2-17-18(6-15)27-11-26-17/h1-2,6,12-14,16,22H,3-5,7-11H2/t12?,13?,14?,16-,21?/m0/s1

InChI Key

GPOJSKQHJASXNG-KQZSUJQPSA-N

MDL Number (MFCD)

MFCD06627376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.629

Distribution Coefficient, logD

2.629

Water Solubility, LogSw

-3.11

Polar Surface Area

57.720

Acid Dissociation Constant (pKa)

17.26

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

8191-1649 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with 8191-1649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8191-1649?
Check Price and Availability of 8191-1649, 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 8191-1649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8191-1649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8191-1649
  • 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 8191-1649 available by request