0831-0199 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-(piperidine-1-sulfonyl)benzamide

0831-0199 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-(piperidine-1-sulfonyl)benzamide
0831-0199 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-(piperidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0199
N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-(piperidine-1-sulfonyl)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

0831-0199

Molecular Formula

C26H22N2O5S (C26 H22 N2 O5 S)

Compound Name

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

IUPAC name

N-(910-dioxo-910-dihydroanthracen-1-yl)-4-(piperidine-1-sulfonyl)benzamide

SMILES

O=C(c(cc1)ccc1S(N1CCCCC1)(=O)=O)Nc(cccc1C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C26H22N2O5S/c29-24-19-7-2-3-8-20(19)25(30)23-21(24)9-6-10-22(23)27-26(31)17-11-13-18(14-12-17)34(32,33)28-15-4-1-5-16-28/h2-3,6-14H,1,4-5,15-16H2,(H,27,31)

InChI Key

IXPJWHWZCSNGBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01531354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

4.570

Water Solubility, LogSw

-4.66

Polar Surface Area

80.285

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

0831-0199 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Lipid Metabolism Library (9174 compounds)

SH2 Library (10483 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0831-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0199?
Check Price and Availability of 0831-0199, 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 0831-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0199
  • 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 0831-0199 available by request