SD08-0413 Screening compound: N-{[1-(methylsulfonyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}cyclopropanecarboxamide

SD08-0413 Screening compound: N-{[1-(methylsulfonyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}cyclopropanecarboxamide
SD08-0413 Screening compound: N-{[1-(methylsulfonyl)-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 SD08-0413
N-{[1-(methylsulfonyl)-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

SD08-0413

Molecular Formula

C15H23N5O4S (C15 H23 N5 O4 S)

Compound Name

N-{[1-(methylsulfonyl)-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

CS(N(CCC1)CC11OCc2c(CNC(C3CC3)=O)nnn2C1)(=O)=O

InChI

InChI=1S/C15H23N5O4S/c1-25(22,23)19-6-2-5-15(9-19)10-20-13(8-24-15)12(17-18-20)7-16-14(21)11-3-4-11/h11H,2-10H2,1H3,(H,16,21)/t15-/m1/s1

InChI Key

JGIOVZZMOLTFMR-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.745

Distribution Coefficient, logD

-0.745

Water Solubility, LogSw

-1.42

Polar Surface Area

90.427

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

SD08-0413 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 SD08-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD08-0413?
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What is the minimum amount of SD08-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD08-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD08-0413
  • 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 SD08-0413 available by request