N051-0056 Screening compound: (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one

N051-0056 Screening compound: (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
N051-0056 Screening compound: (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N051-0056
(7S)-10-[(2-hydroxyethyl)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

N051-0056

Molecular Formula

C22H28N2O5 (C22 H28 N2 O5)

Compound Name

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

IUPAC name

(10S)-14-[(2-hydroxyethyl)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=C2NCCO)c3OC)cc(OC)c3OC)C1=CC2=O

InChI

InChI=1S/C22H28N2O5/c1-23-16-7-5-13-11-19(27-2)21(28-3)22(29-4)20(13)14-6-8-17(24-9-10-25)18(26)12-15(14)16/h6,8,11-12,16,23,25H,5,7,9-10H2,1-4H3,(H,24,26)/t16-/m0/s1

InChI Key

KLSCAHCFZYGZPQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00778427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.908

Distribution Coefficient, logD

0.899

Water Solubility, LogSw

-1.69

Polar Surface Area

76.923

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

N051-0056 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with N051-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N051-0056?
Check Price and Availability of N051-0056, 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 N051-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N051-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N051-0056
  • 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 N051-0056 available by request