N002-0024 Screening compound: 3-{4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,8aH-cyclohepta[b]furan-6-yl}propyl acetate

N002-0024 Screening compound: 3-{4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,8aH-cyclohepta[b]furan-6-yl}propyl acetate
N002-0024 Screening compound: 3-{4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,8aH-cyclohepta[b]furan-6-yl}propyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound N002-0024
3-{4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,8aH-cyclohepta[b]furan-6-yl}propyl acetate

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

N002-0024

Molecular Formula

C17H24O5 (C17 H24 O5)

Compound Name

3-{4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,8aH-cyclohepta[b]furan-6-yl}propyl acetate

IUPAC name

3-{4-hydroxy-57-dimethyl-3-methylidene-2-oxo-2H3H3aH4H5H8H8aH-cyclohepta[b]furan-6-yl}propyl acetate

SMILES

CC(C(C1C2=C)O)C(CCCOC(C)=O)=C(C)CC1OC2=O

InChI

InChI=1S/C17H24O5/c1-9-8-14-15(11(3)17(20)22-14)16(19)10(2)13(9)6-5-7-21-12(4)18/h10,14-16,19H,3,5-8H2,1-2,4H3

InChI Key

QKVABRCMWRXFAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.635

Distribution Coefficient, logD

1.635

Water Solubility, LogSw

-1.42

Polar Surface Area

59.016

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

64.70

N002-0024 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Epigenetics Focused Set (26518 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with N002-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N002-0024?
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What is the minimum amount of N002-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N002-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N002-0024
  • 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 N002-0024 available by request