N042-0026 Screening compound: 6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate

N042-0026 Screening compound: 6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate
N042-0026 Screening compound: 6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound N042-0026
6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 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

N042-0026

Molecular Formula

C17H22O5 (C17 H22 O5)

Compound Name

6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate

IUPAC name

(3aR4S6R9bR)-6-hydroxy-69-dimethyl-3-methylidene-2-oxo-2H3H3aH4H5H6H6aH7H9aH9bH-azuleno[45-b]furan-4-yl acetate

SMILES

C[C@](C[C@H]([C@@H]([C@H]1OC2=O)C2=C)OC(C)=O)(C2C1C(C)=CC2)O

InChI

InChI=1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3/t11?,12-,13?,14-,15-,17+/m1/s1

InChI Key

XMJROHDIQQOWTO-AIGYUTRDSA-N

MDL Number (MFCD)

MFCD02657237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.693

Distribution Coefficient, logD

1.693

Water Solubility, LogSw

-2.22

Polar Surface Area

58.792

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

64.70

N042-0026 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with N042-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N042-0026?
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What is the minimum amount of N042-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N042-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N042-0026
  • 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 N042-0026 available by request