4244-2279 Screening compound: (1E

4244-2279 Screening compound: (1E
4244-2279 Screening compound: (1E alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-2279
(1E

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

4244-2279

Molecular Formula

C16H14N4O6 (C16 H14 N4 O6)

Compound Name

(1E

IUPAC name

n/a

SMILES

O/N=C(\C(\Nc(cc1)cc2c1OCO2)=N/O)/Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C16H14N4O6/c21-19-15(17-9-1-3-11-13(5-9)25-7-23-11)16(20-22)18-10-2-4-12-14(6-10)26-8-24-12/h1-6,21-22H,7-8H2,(H,17,19)(H,18,20)

InChI Key

PWKCZADFPFONHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02187760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.788

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-2.18

Polar Surface Area

112.153

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4244-2279 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4244-2279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-2279?
Check Price and Availability of 4244-2279, 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 4244-2279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-2279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-2279
  • 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 4244-2279 available by request