K978-0268 Screening compound: N~1~-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide

K978-0268 Screening compound: N~1~-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide
K978-0268 Screening compound: N~1~-(5,6-dimethyl-1,2,4-triazin-3-yl)-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 K978-0268
N~1~-(5,6-dimethyl-1,2,4-triazin-3-yl)-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

K978-0268

Molecular Formula

C17H19N5O3 (C17 H19 N5 O3)

Compound Name

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

IUPAC name

N-(56-dimethyl-124-triazin-3-yl)-3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}propanamide

SMILES

Cc1nc(NC(CCN(C(C2C3C4C=CC2C4)=O)C3=O)=O)nnc1C

InChI

InChI=1S/C17H19N5O3/c1-8-9(2)20-21-17(18-8)19-12(23)5-6-22-15(24)13-10-3-4-11(7-10)14(13)16(22)25/h3-4,10-11,13-14H,5-7H2,1-2H3,(H,18,19,21,23)

InChI Key

ZMXMOJUDSYZXJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.327

Distribution Coefficient, logD

-0.341

Water Solubility, LogSw

-1.24

Polar Surface Area

87.450

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

52.90

K978-0268 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Soluble Diversity Library (15920 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 K978-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0268?
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What is the minimum amount of K978-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0268
  • 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 K978-0268 available by request