C430-0597 Screening compound: (1S,5S,7R)-4-oxo-3-(tetrahydro-2-furanylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid

C430-0597 Screening compound: (1S,5S,7R)-4-oxo-3-(tetrahydro-2-furanylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
C430-0597 Screening compound: (1S,5S,7R)-4-oxo-3-(tetrahydro-2-furanylmethyl)-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 C430-0597
(1S,5S,7R)-4-oxo-3-(tetrahydro-2-furanylmethyl)-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

C430-0597

Molecular Formula

C14H17NO5 (C14 H17 NO5)

Compound Name

(1S,5S,7R)-4-oxo-3-(tetrahydro-2-furanylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid

IUPAC name

(5S7R)-4-oxo-3-[(oxolan-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-6-carboxylic acid

SMILES

OC(C([C@@H]1C(N(CC2OCCC2)C2)=O)[C@@H]3O[C@]12C=C3)=O

InChI

InChI=1S/C14H17NO5/c16-12-11-10(13(17)18)9-3-4-14(11,20-9)7-15(12)6-8-2-1-5-19-8/h3-4,8-11H,1-2,5-7H2,(H,17,18)/t8?,9-,10?,11-,14+/m1/s1

InChI Key

ZIXZUJGRFYPACJ-XGXDVYGGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.167

Distribution Coefficient, logD

-2.389

Water Solubility, LogSw

-0.23

Polar Surface Area

61.610

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

71.40

C430-0597 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C430-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0597?
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What is the minimum amount of C430-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0597
  • 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 C430-0597 available by request