8007-6677 Screening compound: 2-hydroxy-5-[(E)-[(pyridin-3-yl)methylidene]amino]benzoic acid

8007-6677 Screening compound: 2-hydroxy-5-[(E)-[(pyridin-3-yl)methylidene]amino]benzoic acid
8007-6677 Screening compound: 2-hydroxy-5-[(E)-[(pyridin-3-yl)methylidene]amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6677
2-hydroxy-5-[(E)-[(pyridin-3-yl)methylidene]amino]benzoic 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

8007-6677

Molecular Formula

C13H10N2O3 (C13 H10 N2 O3)

Compound Name

2-hydroxy-5-[(E)-[(pyridin-3-yl)methylidene]amino]benzoic acid

IUPAC name

2-hydroxy-5-[(E)-[(pyridin-3-yl)methylidene]amino]benzoic acid

SMILES

OC(c(cc(cc1)/N=C/c2cnccc2)c1O)=O

InChI

InChI=1S/C13H10N2O3/c16-12-4-3-10(6-11(12)13(17)18)15-8-9-2-1-5-14-7-9/h1-8,16H,(H,17,18)

InChI Key

VKKMOFCXWUPJRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.418

Distribution Coefficient, logD

-1.411

Water Solubility, LogSw

-2.22

Polar Surface Area

62.840

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8007-6677 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8007-6677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6677?
Check Price and Availability of 8007-6677, 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 8007-6677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6677
  • 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 8007-6677 available by request