0831-0061 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-(morpholine-4-sulfonyl)benzamide

0831-0061 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-(morpholine-4-sulfonyl)benzamide
0831-0061 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-(morpholine-4-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0061
N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-(morpholine-4-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

0831-0061

Molecular Formula

C25H20N2O6S (C25 H20 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1S(N1CCOCC1)(=O)=O)Nc(cccc1C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C25H20N2O6S/c28-23-18-4-1-2-5-19(18)24(29)22-20(23)6-3-7-21(22)26-25(30)16-8-10-17(11-9-16)34(31,32)27-12-14-33-15-13-27/h1-11H,12-15H2,(H,26,30)

InChI Key

XMKNWHXHNPQMSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-4.31

Polar Surface Area

88.193

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

0831-0061 in Drug Discovery

Included in Screening Libraries

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 0831-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0061?
Check Price and Availability of 0831-0061, 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 0831-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0061
  • 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 0831-0061 available by request