8013-1780 Screening compound: 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl octanoate

8013-1780 Screening compound: 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl octanoate
8013-1780 Screening compound: 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl octanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1780
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl octanoate

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

8013-1780

Molecular Formula

C28H34O6 (C28 H34 O6)

Compound Name

4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl octanoate

IUPAC name

4-(18-dioxo-23456789-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl octanoate

SMILES

CCCCCCCC(Oc(ccc(C1C(C(CCC2)=O)=C2OC(CCC2)=C1C2=O)c1)c1OC)=O

InChI

InChI=1S/C28H34O6/c1-3-4-5-6-7-14-25(31)34-21-16-15-18(17-24(21)32-2)26-27-19(29)10-8-12-22(27)33-23-13-9-11-20(30)28(23)26/h15-17,26H,3-14H2,1-2H3

InChI Key

REDLBPLWHLVJAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.416

Distribution Coefficient, logD

5.416

Water Solubility, LogSw

-5.29

Polar Surface Area

61.169

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

References: we are preparing a list of scientific research reports with 8013-1780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1780?
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What is the minimum amount of 8013-1780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1780
  • 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 8013-1780 available by request