K978-0442 Screening compound: N~1~-benzyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide

K978-0442 Screening compound: N~1~-benzyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide
K978-0442 Screening compound: N~1~-benzyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0442
N~1~-benzyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide

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

K978-0442

Molecular Formula

C19H20N2O3 (C19 H20 N2 O3)

Compound Name

N~1~-benzyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide

IUPAC name

N-benzyl-3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}propanamide

SMILES

O=C(CCN(C(C1C2C3C=CC1C3)=O)C2=O)NCc1ccccc1

InChI

InChI=1S/C19H20N2O3/c22-15(20-11-12-4-2-1-3-5-12)8-9-21-18(23)16-13-6-7-14(10-13)17(16)19(21)24/h1-7,13-14,16-17H,8-11H2,(H,20,22)

InChI Key

RQUJPWYIVGRYCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03185661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.185

Distribution Coefficient, logD

1.185

Water Solubility, LogSw

-1.76

Polar Surface Area

54.786

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

42.10

K978-0442 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K978-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0442?
Check Price and Availability of K978-0442, 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 K978-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0442
  • 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 K978-0442 available by request