K978-0201 Screening compound: N~1~-(9-acridinyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

K978-0201 Screening compound: N~1~-(9-acridinyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide
K978-0201 Screening compound: N~1~-(9-acridinyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0201
N~1~-(9-acridinyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

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

K978-0201

Molecular Formula

C24H19N3O3 (C24 H19 N3 O3)

Compound Name

N~1~-(9-acridinyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

IUPAC name

N-(acridin-9-yl)-2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}acetamide

SMILES

O=C(CN(C(C1C2C3C=CC1C3)=O)C2=O)Nc1c(cccc2)c2nc2ccccc12

InChI

InChI=1S/C24H19N3O3/c28-19(12-27-23(29)20-13-9-10-14(11-13)21(20)24(27)30)26-22-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)22/h1-10,13-14,20-21H,11-12H2,(H,25,26,28)

InChI Key

MEKJEVFSZCBJHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05033362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.445

Distribution Coefficient, logD

0.463

Water Solubility, LogSw

-2.84

Polar Surface Area

60.135

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

25.00

K978-0201 in Drug Discovery

Included in Screening Libraries

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
  • 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 K978-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0201?
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What is the minimum amount of K978-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0201
  • 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 K978-0201 available by request