N059-0002 Screening compound: 10-amino-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one

N059-0002 Screening compound: 10-amino-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
N059-0002 Screening compound: 10-amino-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N059-0002
10-amino-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one

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

N059-0002

Molecular Formula

C20H24N2O4 (C20 H24 N2 O4)

Compound Name

10-amino-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one

IUPAC name

14-amino-345-trimethoxy-10-(methylamino)tricyclo[9.5.0.0^{27}]hexadeca-1(16)2(7)351114-hexaen-13-one

SMILES

CNC(CCc(c(C1=CC=C2N)c3OC)cc(OC)c3OC)C1=CC2=O

InChI

InChI=1S/C20H24N2O4/c1-22-15-8-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12-6-7-14(21)16(23)10-13(12)15/h6-7,9-10,15,22H,5,8H2,1-4H3,(H2,21,23)/t15-/m0/s1

InChI Key

OZXQLNSEYAQEKY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15141759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.792

Distribution Coefficient, logD

0.783

Water Solubility, LogSw

-1.56

Polar Surface Area

68.771

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

N059-0002 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Natural Compounds Library (353 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with N059-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N059-0002?
Check Price and Availability of N059-0002, 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 N059-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N059-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N059-0002
  • 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 N059-0002 available by request