2513-3078 Screening compound: 4-benzyl-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide

2513-3078 Screening compound: 4-benzyl-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide
2513-3078 Screening compound: 4-benzyl-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-3078
4-benzyl-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide

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

2513-3078

Molecular Formula

C28H19NO3 (C28 H19 NO3)

Compound Name

4-benzyl-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide

IUPAC name

4-benzyl-N-(910-dioxo-910-dihydroanthracen-1-yl)benzamide

SMILES

O=C(c1ccc(Cc2ccccc2)cc1)Nc(cccc1C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C28H19NO3/c30-26-21-9-4-5-10-22(21)27(31)25-23(26)11-6-12-24(25)29-28(32)20-15-13-19(14-16-20)17-18-7-2-1-3-8-18/h1-16H,17H2,(H,29,32)

InChI Key

MJWANHFWVBZTBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04407213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.208

Distribution Coefficient, logD

6.182

Water Solubility, LogSw

-6.10

Polar Surface Area

48.302

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-8.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

2513-3078 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2513-3078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-3078?
Check Price and Availability of 2513-3078, 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 2513-3078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-3078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-3078
  • 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 2513-3078 available by request