2187-1402 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-phenoxybenzamide

2187-1402 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-phenoxybenzamide
2187-1402 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-phenoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-1402
N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-phenoxybenzamide

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

2187-1402

Molecular Formula

C27H17NO4 (C27 H17 NO4)

Compound Name

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

IUPAC name

N-(910-dioxo-910-dihydroanthracen-1-yl)-4-phenoxybenzamide

SMILES

O=C(c(cc1)ccc1Oc1ccccc1)Nc(cccc1C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C27H17NO4/c29-25-20-9-4-5-10-21(20)26(30)24-22(25)11-6-12-23(24)28-27(31)17-13-15-19(16-14-17)32-18-7-2-1-3-8-18/h1-16H,(H,28,31)

InChI Key

BTTFABGFDCQODD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04406168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.226

Distribution Coefficient, logD

6.216

Water Solubility, LogSw

-6.01

Polar Surface Area

55.322

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2187-1402 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2187-1402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-1402?
Check Price and Availability of 2187-1402, 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 2187-1402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-1402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-1402
  • 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 2187-1402 available by request