J035-0102 Screening compound: 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one

J035-0102 Screening compound: 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one
J035-0102 Screening compound: 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J035-0102
3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-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

J035-0102

Molecular Formula

C18H20N4O4 (C18 H20 N4 O4)

Compound Name

3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one

IUPAC name

3-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6H7H8H9H-pyrazolo[15-a]quinazolin-6-one

SMILES

O=C(c1c2ncc(C(CCC3)=O)c3n2nc1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C18H20N4O4/c23-15-3-1-2-14-12(15)10-19-16-13(11-20-22(14)16)17(24)21-6-4-18(5-7-21)25-8-9-26-18/h10-11H,1-9H2

InChI Key

JKEBCRLFLZKYFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.414

Distribution Coefficient, logD

0.414

Water Solubility, LogSw

-1.15

Polar Surface Area

66.734

Acid Dissociation Constant (pKa)

20.48

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

J035-0102 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J035-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J035-0102?
Check Price and Availability of J035-0102, 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 J035-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J035-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J035-0102
  • 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 J035-0102 available by request