D588-0179 Screening compound: 4-isopropyl-3,7,7-trimethyl-4,7,8,9-tetrahydroisoxazolo[5,4-b]quinolin-5(6H)-one

D588-0179 Screening compound: 4-isopropyl-3,7,7-trimethyl-4,7,8,9-tetrahydroisoxazolo[5,4-b]quinolin-5(6H)-one
D588-0179 Screening compound: 4-isopropyl-3,7,7-trimethyl-4,7,8,9-tetrahydroisoxazolo[5,4-b]quinolin-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D588-0179
4-isopropyl-3,7,7-trimethyl-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

D588-0179

Molecular Formula

C16H22N2O2 (C16 H22 N2 O2)

Compound Name

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

IUPAC name

377-trimethyl-4-(propan-2-yl)-4H5H6H7H8H9H-[12]oxazolo[54-b]quinolin-5-one

SMILES

CC(C)C1C(C(CC(C)(C)C2)=O)=C2Nc2c1c(C)no2

InChI

InChI=1S/C16H22N2O2/c1-8(2)12-13-9(3)18-20-15(13)17-10-6-16(4,5)7-11(19)14(10)12/h8,12,17H,6-7H2,1-5H3/t12-/m0/s1

InChI Key

QIDISZJKVDWIIT-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD12208648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

0.567

Water Solubility, LogSw

-3.21

Polar Surface Area

45.982

Acid Dissociation Constant (pKa)

4.98

Base Dissociation Constant (pKb)

-6.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

D588-0179 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D588-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D588-0179?
Check Price and Availability of D588-0179, 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 D588-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D588-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D588-0179
  • 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 D588-0179 available by request