8002-9796 Screening compound: N-(4-{[(9,10-dioxo-9,10-dihydro-1-anthracenyl)amino]carbonyl}phenyl)hexanamide

8002-9796 Screening compound: N-(4-{[(9,10-dioxo-9,10-dihydro-1-anthracenyl)amino]carbonyl}phenyl)hexanamide
8002-9796 Screening compound: N-(4-{[(9,10-dioxo-9,10-dihydro-1-anthracenyl)amino]carbonyl}phenyl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9796
N-(4-{[(9,10-dioxo-9,10-dihydro-1-anthracenyl)amino]carbonyl}phenyl)hexanamide

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

8002-9796

Molecular Formula

C27H24N2O4 (C27 H24 N2 O4)

Compound Name

N-(4-{[(9,10-dioxo-9,10-dihydro-1-anthracenyl)amino]carbonyl}phenyl)hexanamide

IUPAC name

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

SMILES

CCCCCC(Nc(cc1)ccc1C(Nc(cccc1C(c2c3cccc2)=O)c1C3=O)=O)=O

InChI

InChI=1S/C27H24N2O4/c1-2-3-4-12-23(30)28-18-15-13-17(14-16-18)27(33)29-22-11-7-10-21-24(22)26(32)20-9-6-5-8-19(20)25(21)31/h5-11,13-16H,2-4,12H2,1H3,(H,28,30)(H,29,33)

InChI Key

ROFZCWQLANYSPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00323031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.610

Distribution Coefficient, logD

5.578

Water Solubility, LogSw

-5.38

Polar Surface Area

71.723

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.52

8002-9796 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8002-9796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9796?
Check Price and Availability of 8002-9796, 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 8002-9796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9796
  • 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 8002-9796 available by request