SC44-0029 Screening compound: N,N-dimethyl-2-{[9-(2-pyrazinylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}acetamide

SC44-0029 Screening compound: N,N-dimethyl-2-{[9-(2-pyrazinylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}acetamide
SC44-0029 Screening compound: N,N-dimethyl-2-{[9-(2-pyrazinylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC44-0029
N,N-dimethyl-2-{[9-(2-pyrazinylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}acetamide

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

SC44-0029

Molecular Formula

C18H26N4O4 (C18 H26 N4 O4)

Compound Name

N,N-dimethyl-2-{[9-(2-pyrazinylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}acetamide

IUPAC name

NN-dimethyl-2-{[9-(pyrazine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]oxy}acetamide

SMILES

CN(C)C(COC1CC(CC2)(CCN2C(c2nccnc2)=O)OCC1)=O

InChI

InChI=1S/C18H26N4O4/c1-21(2)16(23)13-25-14-3-10-26-18(11-14)4-8-22(9-5-18)17(24)15-12-19-6-7-20-15/h6-7,12,14H,3-5,8-11,13H2,1-2H3/t14-/m1/s1

InChI Key

MJFSDWCPTGKEMH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32258171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.022

Distribution Coefficient, logD

-1.022

Water Solubility, LogSw

-0.67

Polar Surface Area

64.541

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SC44-0029 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SC44-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC44-0029?
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What is the minimum amount of SC44-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC44-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC44-0029
  • 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 SC44-0029 available by request