C429-0379 Screening compound: (1S,5S,7R)-3-[1-(ethoxycarbonyl)-4-piperidyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid

C429-0379 Screening compound: (1S,5S,7R)-3-[1-(ethoxycarbonyl)-4-piperidyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
C429-0379 Screening compound: (1S,5S,7R)-3-[1-(ethoxycarbonyl)-4-piperidyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0379
(1S,5S,7R)-3-[1-(ethoxycarbonyl)-4-piperidyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid

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

C429-0379

Molecular Formula

C17H22N2O6 (C17 H22 N2 O6)

Compound Name

(1S,5S,7R)-3-[1-(ethoxycarbonyl)-4-piperidyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid

IUPAC name

(5S7R)-3-[1-(ethoxycarbonyl)piperidin-4-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-6-carboxylic acid

SMILES

CCOC(N(CC1)CCC1N(C[C@@]1([C@@H]2C3C(O)=O)O[C@@H]3C=C1)C2=O)=O

InChI

InChI=1S/C17H22N2O6/c1-2-24-16(23)18-7-4-10(5-8-18)19-9-17-6-3-11(25-17)12(15(21)22)13(17)14(19)20/h3,6,10-13H,2,4-5,7-9H2,1H3,(H,21,22)/t11-,12?,13-,17+/m1/s1

InChI Key

LAQBVXSPDDEIAL-JCGRNLFESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

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

0.922

Distribution Coefficient, logD

-1.299

Water Solubility, LogSw

-0.84

Polar Surface Area

75.123

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

70.59

C429-0379 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C429-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0379?
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What is the minimum amount of C429-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0379
  • 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 C429-0379 available by request