E002-0168F Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-(3-methyl-1H-indazol-1-yl)ethan-1-one

E002-0168F Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-(3-methyl-1H-indazol-1-yl)ethan-1-one
E002-0168F Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-(3-methyl-1H-indazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0168F
1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-(3-methyl-1H-indazol-1-yl)ethan-1-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

E002-0168F

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-(3-methyl-1H-indazol-1-yl)ethan-1-one

IUPAC name

1-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-(3-methyl-1H-indazol-1-yl)ethan-1-one

SMILES

Cc1nn(CC(N(CC2)CCC22OCCO2)=O)c2c1cccc2

InChI

InChI=1S/C17H21N3O3/c1-13-14-4-2-3-5-15(14)20(18-13)12-16(21)19-8-6-17(7-9-19)22-10-11-23-17/h2-5H,6-12H2,1H3

InChI Key

QQHGRKNGWJUOAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.812

Distribution Coefficient, logD

0.812

Water Solubility, LogSw

-1.58

Polar Surface Area

44.853

Acid Dissociation Constant (pKa)

24.87

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

References: we are preparing a list of scientific research reports with E002-0168F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0168F?
Check Price and Availability of E002-0168F, 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 E002-0168F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0168F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0168F
  • 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 E002-0168F available by request