C884-0330 Screening compound: 5-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C884-0330 Screening compound: 5-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C884-0330 Screening compound: 5-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0330
5-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-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

C884-0330

Molecular Formula

C20H22N4O4 (C20 H22 N4 O4)

Compound Name

5-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3-methyl-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CN(C1=O)N=Cc2c1n(CC(N(CC1)CCC11OCCO1)=O)c1c2cccc1

InChI

InChI=1S/C20H22N4O4/c1-22-19(26)18-15(12-21-22)14-4-2-3-5-16(14)24(18)13-17(25)23-8-6-20(7-9-23)27-10-11-28-20/h2-5,12H,6-11,13H2,1H3

InChI Key

RKIXCYYLKGGCEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.710

Distribution Coefficient, logD

0.710

Water Solubility, LogSw

-1.63

Polar Surface Area

59.852

Acid Dissociation Constant (pKa)

21.56

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

C884-0330 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C884-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0330?
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What is the minimum amount of C884-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0330
  • 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 C884-0330 available by request