1751-0079 Screening compound: 9-(4-hydroxy-3-methoxyphenyl)-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

1751-0079 Screening compound: 9-(4-hydroxy-3-methoxyphenyl)-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
1751-0079 Screening compound: 9-(4-hydroxy-3-methoxyphenyl)-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1751-0079
9-(4-hydroxy-3-methoxyphenyl)-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

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

1751-0079

Molecular Formula

C20H20O5 (C20 H20 O5)

Compound Name

9-(4-hydroxy-3-methoxyphenyl)-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

IUPAC name

9-(4-hydroxy-3-methoxyphenyl)-23456789-octahydro-1H-xanthene-18-dione

SMILES

COc(cc(C1C(C(CCC2)=O)=C2OC(CCC2)=C1C2=O)cc1)c1O

InChI

InChI=1S/C20H20O5/c1-24-17-10-11(8-9-12(17)21)18-19-13(22)4-2-6-15(19)25-16-7-3-5-14(23)20(16)18/h8-10,18,21H,2-7H2,1H3

InChI Key

UMPROAWIQHDPNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00593297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

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

2.121

Distribution Coefficient, logD

2.121

Water Solubility, LogSw

-2.65

Polar Surface Area

57.576

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

1751-0079 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1751-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1751-0079?
Check Price and Availability of 1751-0079, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1751-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1751-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1751-0079
  • 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 1751-0079 available by request