K978-0509 Screening compound: N~1~-[4-(acetylamino)phenyl]-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide

K978-0509 Screening compound: N~1~-[4-(acetylamino)phenyl]-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide
K978-0509 Screening compound: N~1~-[4-(acetylamino)phenyl]-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 K978-0509
N~1~-[4-(acetylamino)phenyl]-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

K978-0509

Molecular Formula

C20H21N3O4 (C20 H21 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1NC(CCN(C(C1C2C3C=CC1C3)=O)C2=O)=O)=O

InChI

InChI=1S/C20H21N3O4/c1-11(24)21-14-4-6-15(7-5-14)22-16(25)8-9-23-19(26)17-12-2-3-13(10-12)18(17)20(23)27/h2-7,12-13,17-18H,8-10H2,1H3,(H,21,24)(H,22,25)

InChI Key

OTEBHUAVGISYAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.686

Distribution Coefficient, logD

0.685

Water Solubility, LogSw

-1.71

Polar Surface Area

76.726

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

40.00

K978-0509 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 K978-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0509?
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What is the minimum amount of K978-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0509
  • 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 K978-0509 available by request