SC40-0047 Screening compound: 3'-(methoxymethyl)-1-(4-phenylbutanoyl)-4'H-spiro[piperidine-4,6'-[1,2,3]triazolo[5,1-c][1,4]oxazine]

SC40-0047 Screening compound: 3'-(methoxymethyl)-1-(4-phenylbutanoyl)-4'H-spiro[piperidine-4,6'-[1,2,3]triazolo[5,1-c][1,4]oxazine]
SC40-0047 Screening compound: 3'-(methoxymethyl)-1-(4-phenylbutanoyl)-4'H-spiro[piperidine-4,6'-[1,2,3]triazolo[5,1-c][1,4]oxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound SC40-0047
3'-(methoxymethyl)-1-(4-phenylbutanoyl)-4'H-spiro[piperidine-4,6'-[1,2,3]triazolo[5,1-c][1,4]oxazine]

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

SC40-0047

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

3'-(methoxymethyl)-1-(4-phenylbutanoyl)-4'H-spiro[piperidine-4,6'-[1,2,3]triazolo[5,1-c][1,4]oxazine]

IUPAC name

n/a

SMILES

COCc1c(COC(CC2)(CCN2C(CCCc2ccccc2)=O)C2)n2nn1

InChI

InChI=1S/C21H28N4O3/c1-27-14-18-19-15-28-21(16-25(19)23-22-18)10-12-24(13-11-21)20(26)9-5-8-17-6-3-2-4-7-17/h2-4,6-7H,5,8-16H2,1H3

InChI Key

DDRYAHMCBUTVRI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.749

Distribution Coefficient, logD

1.749

Water Solubility, LogSw

-1.88

Polar Surface Area

58.627

Acid Dissociation Constant (pKa)

22.22

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

References: we are preparing a list of scientific research reports with SC40-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC40-0047?
Check Price and Availability of SC40-0047, 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 SC40-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC40-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC40-0047
  • 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 SC40-0047 available by request