K978-0329 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(3-nitrophenyl)propanamide

K978-0329 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(3-nitrophenyl)propanamide
K978-0329 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(3-nitrophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0329
3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(3-nitrophenyl)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

K978-0329

Molecular Formula

C18H17N3O5 (C18 H17 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cc(NC(CCN(C(C2C3C4C=CC2C4)=O)C3=O)=O)ccc1)=O

InChI

InChI=1S/C18H17N3O5/c22-14(19-12-2-1-3-13(9-12)21(25)26)6-7-20-17(23)15-10-4-5-11(8-10)16(15)18(20)24/h1-5,9-11,15-16H,6-8H2,(H,19,22)

InChI Key

MQBXZXGVNYMYDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03185767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.552

Distribution Coefficient, logD

1.549

Water Solubility, LogSw

-2.35

Polar Surface Area

86.845

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.90

K978-0329 in Drug Discovery

Included in Screening Libraries

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 K978-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0329?
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What is the minimum amount of K978-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0329
  • 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 K978-0329 available by request