7746-0007 Screening compound: 1-(4-methylphenyl)-2-(9H-xanthen-9-yl)butane-1,3-dione

7746-0007 Screening compound: 1-(4-methylphenyl)-2-(9H-xanthen-9-yl)butane-1,3-dione
7746-0007 Screening compound: 1-(4-methylphenyl)-2-(9H-xanthen-9-yl)butane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7746-0007
1-(4-methylphenyl)-2-(9H-xanthen-9-yl)butane-1,3-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

7746-0007

Molecular Formula

C24H20O3 (C24 H20 O3)

Compound Name

1-(4-methylphenyl)-2-(9H-xanthen-9-yl)butane-1,3-dione

IUPAC name

1-(4-methylphenyl)-2-(9H-xanthen-9-yl)butane-13-dione

SMILES

CC(C(C1c(cccc2)c2Oc2c1cccc2)C(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C24H20O3/c1-15-11-13-17(14-12-15)24(26)22(16(2)25)23-18-7-3-5-9-20(18)27-21-10-6-4-8-19(21)23/h3-14,22-23H,1-2H3/t22-/m1/s1

InChI Key

PGJFLOUZVOBGJA-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14712987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

4.835

Water Solubility, LogSw

-4.88

Polar Surface Area

34.346

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

7746-0007 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7746-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7746-0007?
Check Price and Availability of 7746-0007, 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 7746-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7746-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7746-0007
  • 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 7746-0007 available by request