3448-1053 Screening compound: 9,10-dioxo-N-{2-[4-(piperidine-1-sulfonyl)phenyl]ethyl}-9,10-dihydroanthracene-2-carboxamide

3448-1053 Screening compound: 9,10-dioxo-N-{2-[4-(piperidine-1-sulfonyl)phenyl]ethyl}-9,10-dihydroanthracene-2-carboxamide
3448-1053 Screening compound: 9,10-dioxo-N-{2-[4-(piperidine-1-sulfonyl)phenyl]ethyl}-9,10-dihydroanthracene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-1053
9,10-dioxo-N-{2-[4-(piperidine-1-sulfonyl)phenyl]ethyl}-9,10-dihydroanthracene-2-carboxamide

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

3448-1053

Molecular Formula

C28H26N2O5S (C28 H26 N2 O5 S)

Compound Name

9,10-dioxo-N-{2-[4-(piperidine-1-sulfonyl)phenyl]ethyl}-9,10-dihydroanthracene-2-carboxamide

IUPAC name

910-dioxo-N-{2-[4-(piperidine-1-sulfonyl)phenyl]ethyl}-910-dihydroanthracene-2-carboxamide

SMILES

O=C(c(cc1)cc(C(c2c3cccc2)=O)c1C3=O)NCCc(cc1)ccc1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C28H26N2O5S/c31-26-22-6-2-3-7-23(22)27(32)25-18-20(10-13-24(25)26)28(33)29-15-14-19-8-11-21(12-9-19)36(34,35)30-16-4-1-5-17-30/h2-3,6-13,18H,1,4-5,14-17H2,(H,29,33)

InChI Key

FEKIEYGEOZBKLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01899715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.159

Distribution Coefficient, logD

4.159

Water Solubility, LogSw

-4.22

Polar Surface Area

82.146

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3448-1053 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3448-1053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-1053?
Check Price and Availability of 3448-1053, 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 3448-1053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-1053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-1053
  • 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 3448-1053 available by request