1661-1306 Screening compound: 9-[4-(benzyloxy)-3-methoxyphenyl]-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

1661-1306 Screening compound: 9-[4-(benzyloxy)-3-methoxyphenyl]-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
1661-1306 Screening compound: 9-[4-(benzyloxy)-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 1661-1306
9-[4-(benzyloxy)-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

1661-1306

Molecular Formula

C27H26O5 (C27 H26 O5)

Compound Name

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

IUPAC name

9-[4-(benzyloxy)-3-methoxyphenyl]-23456789-octahydro-1H-xanthene-18-dione

SMILES

COc(cc(C1C(C(CCC2)=O)=C2OC(CCC2)=C1C2=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C27H26O5/c1-30-24-15-18(13-14-21(24)31-16-17-7-3-2-4-8-17)25-26-19(28)9-5-11-22(26)32-23-12-6-10-20(29)27(23)25/h2-4,7-8,13-15,25H,5-6,9-12,16H2,1H3

InChI Key

WAFOLGULPNKPTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.079

Distribution Coefficient, logD

4.079

Water Solubility, LogSw

-4.71

Polar Surface Area

48.342

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1661-1306 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 1661-1306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1661-1306?
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What is the minimum amount of 1661-1306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1661-1306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1661-1306
  • 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 1661-1306 available by request