8015-8569 Screening compound: 3-[4-(adamantan-1-yl)piperazin-1-yl]-1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione

8015-8569 Screening compound: 3-[4-(adamantan-1-yl)piperazin-1-yl]-1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione
8015-8569 Screening compound: 3-[4-(adamantan-1-yl)piperazin-1-yl]-1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8569
3-[4-(adamantan-1-yl)piperazin-1-yl]-1-(3-chloro-4-methylphenyl)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

8015-8569

Molecular Formula

C25H32ClN3O2 (C25 H32 ClN3 O2)

Compound Name

3-[4-(adamantan-1-yl)piperazin-1-yl]-1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione

IUPAC name

3-[4-(adamantan-1-yl)piperazin-1-yl]-1-(3-chloro-4-methylphenyl)pyrrolidine-25-dione

SMILES

Cc(ccc(N(C(CC1N(CC2)CCN2C2(CC(C3)C4)CC4CC3C2)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C25H32ClN3O2/c1-16-2-3-20(11-21(16)26)29-23(30)12-22(24(29)31)27-4-6-28(7-5-27)25-13-17-8-18(14-25)10-19(9-17)15-25/h2-3,11,17-19,22H,4-10,12-15H2,1H3/t17?,18?,19?,22-,25?/m1/s1

InChI Key

SQMJMSGUQNOIQV-VBSWXYJSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

4.273

Water Solubility, LogSw

-4.45

Polar Surface Area

34.940

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

8015-8569 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8015-8569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8569?
Check Price and Availability of 8015-8569, 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 8015-8569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8569
  • 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 8015-8569 available by request