SD08-0090 Screening compound: N-{[1-(3-thienylmethyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}benzamide

SD08-0090 Screening compound: N-{[1-(3-thienylmethyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}benzamide
SD08-0090 Screening compound: N-{[1-(3-thienylmethyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD08-0090
N-{[1-(3-thienylmethyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}benzamide

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

SD08-0090

Molecular Formula

C22H25N5O2S (C22 H25 N5 O2 S)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(c1ccccc1)NCc1c(COC2(C3)CN(Cc4cscc4)CCC2)n3nn1

InChI

InChI=1S/C22H25N5O2S/c28-21(18-5-2-1-3-6-18)23-11-19-20-13-29-22(16-27(20)25-24-19)8-4-9-26(15-22)12-17-7-10-30-14-17/h1-3,5-7,10,14H,4,8-9,11-13,15-16H2,(H,23,28)/t22-/m1/s1

InChI Key

QQBURYWOESHJKQ-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.832

Distribution Coefficient, logD

1.094

Water Solubility, LogSw

-2.34

Polar Surface Area

63.180

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

8.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

SD08-0090 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD08-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD08-0090?
Check Price and Availability of SD08-0090, 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 SD08-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD08-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD08-0090
  • 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 SD08-0090 available by request