3509-0010 Screening compound: 2-(9H-XANTHEN-9-YL)-2,3-DIHYDRO-1'H,3'H-[1,2'-BIINDENYLIDENE]-1',3,3'-TRIONE

3509-0010 Screening compound: 2-(9H-XANTHEN-9-YL)-2,3-DIHYDRO-1'H,3'H-[1,2'-BIINDENYLIDENE]-1',3,3'-TRIONE
3509-0010 Screening compound: 2-(9H-XANTHEN-9-YL)-2,3-DIHYDRO-1'H,3'H-[1,2'-BIINDENYLIDENE]-1',3,3'-TRIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3509-0010
2-(9H-XANTHEN-9-YL)-2,3-DIHYDRO-1'H,3'H-[1,2'-BIINDENYLIDENE]-1',3,3'-TRIONE

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

3509-0010

Molecular Formula

C31H18O4 (C31 H18 O4)

Compound Name

2-(9H-XANTHEN-9-YL)-2,3-DIHYDRO-1'H,3'H-[1,2'-BIINDENYLIDENE]-1',3,3'-TRIONE

IUPAC name

n/a

SMILES

O=C(C1C2c(cccc3)c3Oc3c2cccc3)c(cccc2)c2C1=C(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C31H18O4/c32-29-18-10-2-1-9-17(18)26(28-30(33)19-11-3-4-12-20(19)31(28)34)27(29)25-21-13-5-7-15-23(21)35-24-16-8-6-14-22(24)25/h1-16,25,27H/t27-/m0/s1

InChI Key

LPJCSVKAGSSMIL-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01958393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.802

Distribution Coefficient, logD

5.801

Water Solubility, LogSw

-6.00

Polar Surface Area

46.521

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

3.00

3509-0010 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3509-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3509-0010?
Check Price and Availability of 3509-0010, 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 3509-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3509-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3509-0010
  • 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 3509-0010 available by request