D526-0131 Screening compound: methyl 4-{3-methyl-5-oxo-7-phenyl-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-4-yl}benzoate

D526-0131 Screening compound: methyl 4-{3-methyl-5-oxo-7-phenyl-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-4-yl}benzoate
D526-0131 Screening compound: methyl 4-{3-methyl-5-oxo-7-phenyl-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-4-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D526-0131
methyl 4-{3-methyl-5-oxo-7-phenyl-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-4-yl}benzoate

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

D526-0131

Molecular Formula

C25H22N2O4 (C25 H22 N2 O4)

Compound Name

methyl 4-{3-methyl-5-oxo-7-phenyl-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-4-yl}benzoate

IUPAC name

methyl 4-{3-methyl-5-oxo-7-phenyl-4H5H6H7H8H9H-[12]oxazolo[54-b]quinolin-4-yl}benzoate

SMILES

Cc1noc2c1C(c(cc1)ccc1C(OC)=O)C(C(CC(C1)c3ccccc3)=O)=C1N2

InChI

InChI=1S/C25H22N2O4/c1-14-21-22(16-8-10-17(11-9-16)25(29)30-2)23-19(26-24(21)31-27-14)12-18(13-20(23)28)15-6-4-3-5-7-15/h3-11,18,22,26H,12-13H2,1-2H3

InChI Key

IKUVEDXQMAEFRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09846565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.697

Distribution Coefficient, logD

2.321

Water Solubility, LogSw

-4.46

Polar Surface Area

66.613

Acid Dissociation Constant (pKa)

5.03

Base Dissociation Constant (pKb)

-7.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

D526-0131 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D526-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D526-0131?
Check Price and Availability of D526-0131, 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 D526-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D526-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D526-0131
  • 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 D526-0131 available by request