K978-0251 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

K978-0251 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide
K978-0251 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-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 K978-0251
N~1~-[4-(aminosulfonyl)phenethyl]-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

K978-0251

Molecular Formula

C19H21N3O5S (C19 H21 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

NS(c1ccc(CCNC(CN(C(C2C3C4C=CC2C4)=O)C3=O)=O)cc1)(=O)=O

InChI

InChI=1S/C19H21N3O5S/c20-28(26,27)14-5-1-11(2-6-14)7-8-21-15(23)10-22-18(24)16-12-3-4-13(9-12)17(16)19(22)25/h1-6,12-13,16-17H,7-10H2,(H,21,23)(H2,20,26,27)

InChI Key

IDEFHBXCRCIEFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05271824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.842

Distribution Coefficient, logD

-0.843

Water Solubility, LogSw

-2.06

Polar Surface Area

105.252

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

42.10

K978-0251 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 K978-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0251?
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What is the minimum amount of K978-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0251
  • 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 K978-0251 available by request