K978-0399 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide

K978-0399 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide
K978-0399 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-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 K978-0399
N~1~-(5-chloro-2-methoxyphenyl)-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

K978-0399

Molecular Formula

C19H19ClN2O4 (C19 H19 ClN2 O4)

Compound Name

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

IUPAC name

N-(5-chloro-2-methoxyphenyl)-3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}propanamide

SMILES

COc(ccc(Cl)c1)c1NC(CCN(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C19H19ClN2O4/c1-26-14-5-4-12(20)9-13(14)21-15(23)6-7-22-18(24)16-10-2-3-11(8-10)17(16)19(22)25/h2-5,9-11,16-17H,6-8H2,1H3,(H,21,23)

InChI Key

VEHTXLZGMCQEQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.737

Distribution Coefficient, logD

1.722

Water Solubility, LogSw

-2.82

Polar Surface Area

60.396

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

42.10

K978-0399 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K978-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0399?
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What is the minimum amount of K978-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0399
  • 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 K978-0399 available by request