3333-4173 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-phenylpropanamide

3333-4173 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-phenylpropanamide
3333-4173 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3333-4173
N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-phenylpropanamide

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

3333-4173

Molecular Formula

C23H17NO3 (C23 H17 NO3)

Compound Name

N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-phenylpropanamide

IUPAC name

N-(910-dioxo-910-dihydroanthracen-1-yl)-3-phenylpropanamide

SMILES

O=C(CCc1ccccc1)Nc(cccc1C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C23H17NO3/c25-20(14-13-15-7-2-1-3-8-15)24-19-12-6-11-18-21(19)23(27)17-10-5-4-9-16(17)22(18)26/h1-12H,13-14H2,(H,24,25)

InChI Key

JCORYJMTRLRVHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00361797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

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

4.714

Distribution Coefficient, logD

4.711

Water Solubility, LogSw

-4.95

Polar Surface Area

48.360

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3333-4173 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 3333-4173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3333-4173?
Check Price and Availability of 3333-4173, 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 3333-4173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3333-4173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3333-4173
  • 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 3333-4173 available by request