D588-0072 Screening compound: 7-(4-chlorophenyl)-4-(4-hydroxyphenyl)-3-methyl-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-5-one

D588-0072 Screening compound: 7-(4-chlorophenyl)-4-(4-hydroxyphenyl)-3-methyl-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-5-one
D588-0072 Screening compound: 7-(4-chlorophenyl)-4-(4-hydroxyphenyl)-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 D588-0072
7-(4-chlorophenyl)-4-(4-hydroxyphenyl)-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

D588-0072

Molecular Formula

C23H19ClN2O3 (C23 H19 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc2c1C(c(cc1)ccc1O)C(C(CC(C1)c(cc3)ccc3Cl)=O)=C1N2

InChI

InChI=1S/C23H19ClN2O3/c1-12-20-21(14-4-8-17(27)9-5-14)22-18(25-23(20)29-26-12)10-15(11-19(22)28)13-2-6-16(24)7-3-13/h2-9,15,21,25,27H,10-11H2,1H3

InChI Key

PVZDNEXKHNCHNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09849204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

2.201

Water Solubility, LogSw

-4.90

Polar Surface Area

63.056

Acid Dissociation Constant (pKa)

5.03

Base Dissociation Constant (pKb)

-7.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.70

D588-0072 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

References: we are preparing a list of scientific research reports with D588-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D588-0072?
Check Price and Availability of D588-0072, 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 D588-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D588-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D588-0072
  • 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 D588-0072 available by request