K978-0170 Screening compound: N~1~-[4-(diethylamino)-2-methylphenyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

K978-0170 Screening compound: N~1~-[4-(diethylamino)-2-methylphenyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide
K978-0170 Screening compound: N~1~-[4-(diethylamino)-2-methylphenyl]-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 K978-0170
N~1~-[4-(diethylamino)-2-methylphenyl]-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

K978-0170

Molecular Formula

C22H27N3O3 (C22 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c(cc1)cc(C)c1NC(CN(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C22H27N3O3/c1-4-24(5-2)16-8-9-17(13(3)10-16)23-18(26)12-25-21(27)19-14-6-7-15(11-14)20(19)22(25)28/h6-10,14-15,19-20H,4-5,11-12H2,1-3H3,(H,23,26)

InChI Key

AHABIZVPPZZDTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.222

Distribution Coefficient, logD

2.013

Water Solubility, LogSw

-2.82

Polar Surface Area

55.524

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

K978-0170 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 K978-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K978-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0170
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0170
  • 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 K978-0170 available by request