2385-0012 Screening compound: 2-METHYLPHENYL 1-HYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLATE

2385-0012 Screening compound: 2-METHYLPHENYL 1-HYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLATE
2385-0012 Screening compound: 2-METHYLPHENYL 1-HYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2385-0012
2-METHYLPHENYL 1-HYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLATE

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

2385-0012

Molecular Formula

C22H14O5 (C22 H14 O5)

Compound Name

2-METHYLPHENYL 1-HYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLATE

IUPAC name

n/a

SMILES

Cc(cccc1)c1OC(c(c(O)c1C(c2c3cccc2)=O)ccc1C3=O)=O

InChI

InChI=1S/C22H14O5/c1-12-6-2-5-9-17(12)27-22(26)16-11-10-15-18(21(16)25)20(24)14-8-4-3-7-13(14)19(15)23/h2-11,25H,1H3

InChI Key

YVUHEILKZUSVJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.303

Distribution Coefficient, logD

4.675

Water Solubility, LogSw

-5.35

Polar Surface Area

62.124

Acid Dissociation Constant (pKa)

6.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2385-0012 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 2385-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2385-0012?
Check Price and Availability of 2385-0012, 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 2385-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2385-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2385-0012
  • 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 2385-0012 available by request