4598-0405 Screening compound: 4-(benzyloxy)-N-(2-chloro-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)benzamide

4598-0405 Screening compound: 4-(benzyloxy)-N-(2-chloro-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)benzamide
4598-0405 Screening compound: 4-(benzyloxy)-N-(2-chloro-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4598-0405
4-(benzyloxy)-N-(2-chloro-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)benzamide

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

4598-0405

Molecular Formula

C26H18ClN3O3 (C26 H18 ClN3 O3)

Compound Name

4-(benzyloxy)-N-(2-chloro-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)benzamide

IUPAC name

4-(benzyloxy)-N-(2-chloro-5-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)benzamide

SMILES

O=C(c(cc1)ccc1OCc1ccccc1)Nc(cc(cc1)-c2nc(nccc3)c3o2)c1Cl

InChI

InChI=1S/C26H18ClN3O3/c27-21-13-10-19(26-30-24-23(33-26)7-4-14-28-24)15-22(21)29-25(31)18-8-11-20(12-9-18)32-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,29,31)

InChI Key

QTINWEJLQSYNQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03031093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.615

Distribution Coefficient, logD

5.614

Water Solubility, LogSw

-6.04

Polar Surface Area

57.044

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

4598-0405 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4598-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4598-0405?
Check Price and Availability of 4598-0405, 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 4598-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4598-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4598-0405
  • 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 4598-0405 available by request