SD08-0405 Screening compound: N-({1-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)cyclopropanecarboxamide

SD08-0405 Screening compound: N-({1-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)cyclopropanecarboxamide
SD08-0405 Screening compound: N-({1-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD08-0405
N-({1-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)cyclopropanecarboxamide

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

SD08-0405

Molecular Formula

C22H30N6O4 (C22 H30 N6 O4)

Compound Name

N-({1-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)cyclopropanecarboxamide

IUPAC name

n/a

SMILES

Cc1noc(C)c1CCC(N(CCC1)CC11OCc2c(CNC(C3CC3)=O)nnn2C1)=O

InChI

InChI=1S/C22H30N6O4/c1-14-17(15(2)32-25-14)6-7-20(29)27-9-3-8-22(12-27)13-28-19(11-31-22)18(24-26-28)10-23-21(30)16-4-5-16/h16H,3-13H2,1-2H3,(H,23,30)/t22-/m1/s1

InChI Key

DQBIKQKFHNNZNI-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.319

Distribution Coefficient, logD

0.319

Water Solubility, LogSw

-0.99

Polar Surface Area

97.111

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

SD08-0405 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SD08-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD08-0405?
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What is the minimum amount of SD08-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD08-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD08-0405
  • 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 SD08-0405 available by request