4534-3549 Screening compound: (Z)-[amino(pyridin-4-yl)methylidene]amino naphthalene-2-carboxylate

4534-3549 Screening compound: (Z)-[amino(pyridin-4-yl)methylidene]amino naphthalene-2-carboxylate
4534-3549 Screening compound: (Z)-[amino(pyridin-4-yl)methylidene]amino naphthalene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4534-3549
(Z)-[amino(pyridin-4-yl)methylidene]amino naphthalene-2-carboxylate

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

4534-3549

Molecular Formula

C17H13N3O2 (C17 H13 N3 O2)

Compound Name

(Z)-[amino(pyridin-4-yl)methylidene]amino naphthalene-2-carboxylate

IUPAC name

(Z)-[amino(pyridin-4-yl)methylidene]amino naphthalene-2-carboxylate

SMILES

N/C(/c1ccncc1)=N\OC(c1cc2ccccc2cc1)=O

InChI

InChI=1S/C17H13N3O2/c18-16(13-7-9-19-10-8-13)20-22-17(21)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,(H2,18,20)

InChI Key

NAQYUIOGSQVZRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01198794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.477

Distribution Coefficient, logD

2.475

Water Solubility, LogSw

-2.94

Polar Surface Area

61.266

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4534-3549 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4534-3549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4534-3549?
Check Price and Availability of 4534-3549, 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 4534-3549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4534-3549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4534-3549
  • 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 4534-3549 available by request