D588-0089 Screening compound: 7-(4-chlorophenyl)-4-isopropyl-3-methyl-4,7,8,9-tetrahydroisoxazolo[5,4-b]quinolin-5(6H)-one

D588-0089 Screening compound: 7-(4-chlorophenyl)-4-isopropyl-3-methyl-4,7,8,9-tetrahydroisoxazolo[5,4-b]quinolin-5(6H)-one
D588-0089 Screening compound: 7-(4-chlorophenyl)-4-isopropyl-3-methyl-4,7,8,9-tetrahydroisoxazolo[5,4-b]quinolin-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D588-0089
7-(4-chlorophenyl)-4-isopropyl-3-methyl-4,7,8,9-tetrahydroisoxazolo[5,4-b]quinolin-5(6H)-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

D588-0089

Molecular Formula

C20H21ClN2O2 (C20 H21 ClN2 O2)

Compound Name

7-(4-chlorophenyl)-4-isopropyl-3-methyl-4,7,8,9-tetrahydroisoxazolo[5,4-b]quinolin-5(6H)-one

IUPAC name

7-(4-chlorophenyl)-3-methyl-4-(propan-2-yl)-4H5H6H7H8H9H-[12]oxazolo[54-b]quinolin-5-one

SMILES

CC(C)C1C(C(CC(C2)c(cc3)ccc3Cl)=O)=C2Nc2c1c(C)no2

InChI

InChI=1S/C20H21ClN2O2/c1-10(2)17-18-11(3)23-25-20(18)22-15-8-13(9-16(24)19(15)17)12-4-6-14(21)7-5-12/h4-7,10,13,17,22H,8-9H2,1-3H3

InChI Key

HTOABLNMVBFNLK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.780

Distribution Coefficient, logD

2.166

Water Solubility, LogSw

-5.01

Polar Surface Area

45.711

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

-6.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

D588-0089 in Drug Discovery

Included in Screening Libraries

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

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 D588-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D588-0089?
Check Price and Availability of D588-0089, 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 D588-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D588-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D588-0089
  • 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 D588-0089 available by request