8017-3053 Screening compound: 9-methoxy-10,11-dihydro-5-azatetraphene-12-carboxylic acid

8017-3053 Screening compound: 9-methoxy-10,11-dihydro-5-azatetraphene-12-carboxylic acid
8017-3053 Screening compound: 9-methoxy-10,11-dihydro-5-azatetraphene-12-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3053
9-methoxy-10,11-dihydro-5-azatetraphene-12-carboxylic acid

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

8017-3053

Molecular Formula

C19H15NO3 (C19 H15 NO3)

Compound Name

9-methoxy-10,11-dihydro-5-azatetraphene-12-carboxylic acid

IUPAC name

9-methoxy-1011-dihydro-5-azatetraphene-12-carboxylic acid

SMILES

COc1cccc-2c1CCc1c(C(O)=O)c3ccccc3nc12

InChI

InChI=1S/C19H15NO3/c1-23-16-8-4-6-12-11(16)9-10-14-17(19(21)22)13-5-2-3-7-15(13)20-18(12)14/h2-8H,9-10H2,1H3,(H,21,22)

InChI Key

NNLJJCPGABDUGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.963

Distribution Coefficient, logD

-1.253

Water Solubility, LogSw

-4.26

Polar Surface Area

45.118

Acid Dissociation Constant (pKa)

2.78

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

8017-3053 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

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

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-3053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3053?
Check Price and Availability of 8017-3053, 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 8017-3053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3053
  • 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 8017-3053 available by request