1729-0062 Screening compound: 3-methyl-3-phenyl-1H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,10H,11H,11aH,11bH-phenanthro[9,10-c]furan-1-one

1729-0062 Screening compound: 3-methyl-3-phenyl-1H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,10H,11H,11aH,11bH-phenanthro[9,10-c]furan-1-one
1729-0062 Screening compound: 3-methyl-3-phenyl-1H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,10H,11H,11aH,11bH-phenanthro[9,10-c]furan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1729-0062
3-methyl-3-phenyl-1H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,10H,11H,11aH,11bH-phenanthro[9,10-c]furan-1-one

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

1729-0062

Molecular Formula

C23H28O2 (C23 H28 O2)

Compound Name

3-methyl-3-phenyl-1H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,10H,11H,11aH,11bH-phenanthro[9,10-c]furan-1-one

IUPAC name

3-methyl-3-phenyl-1H3H3aH3bH4H5H6H7H8H9H10H11H11aH11bH-phenanthro[910-c]furan-1-one

SMILES

CC(C1C(CCCC2)C2=C(CCCC2)C2C11)(c2ccccc2)OC1=O

InChI

InChI=1S/C23H28O2/c1-23(15-9-3-2-4-10-15)21-19-14-8-6-12-17(19)16-11-5-7-13-18(16)20(21)22(24)25-23/h2-4,9-10,18-21H,5-8,11-14H2,1H3

InChI Key

MULDAFDMOJEJEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00558844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.258

Water Solubility, LogSw

-5.26

Polar Surface Area

21.183

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

60.90

References: we are preparing a list of scientific research reports with 1729-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1729-0062?
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What is the minimum amount of 1729-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1729-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1729-0062
  • 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 1729-0062 available by request