D588-0045 Screening compound: 7-(4-chlorophenyl)-4-(4-methoxyphenyl)-3-methyl-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-5-one

D588-0045 Screening compound: 7-(4-chlorophenyl)-4-(4-methoxyphenyl)-3-methyl-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-5-one
D588-0045 Screening compound: 7-(4-chlorophenyl)-4-(4-methoxyphenyl)-3-methyl-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D588-0045
7-(4-chlorophenyl)-4-(4-methoxyphenyl)-3-methyl-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-5-one

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

D588-0045

Molecular Formula

C24H21ClN2O3 (C24 H21 ClN2 O3)

Compound Name

7-(4-chlorophenyl)-4-(4-methoxyphenyl)-3-methyl-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-5-one

IUPAC name

7-(4-chlorophenyl)-4-(4-methoxyphenyl)-3-methyl-4H5H6H7H8H9H-[12]oxazolo[54-b]quinolin-5-one

SMILES

Cc1noc2c1C(c(cc1)ccc1OC)C(C(CC(C1)c(cc3)ccc3Cl)=O)=C1N2

InChI

InChI=1S/C24H21ClN2O3/c1-13-21-22(15-5-9-18(29-2)10-6-15)23-19(26-24(21)30-27-13)11-16(12-20(23)28)14-3-7-17(25)8-4-14/h3-10,16,22,26H,11-12H2,1-2H3

InChI Key

AVMMHNBMYYHEIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.179

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-5.97

Polar Surface Area

52.983

Acid Dissociation Constant (pKa)

5.03

Base Dissociation Constant (pKb)

-7.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

D588-0045 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 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 D588-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D588-0045?
Check Price and Availability of D588-0045, 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 D588-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D588-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D588-0045
  • 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 D588-0045 available by request