S727-0799 Screening compound: {3-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-1-azetanyl}(1-methyl-1H-pyrazol-4-yl)methanone

S727-0799 Screening compound: {3-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-1-azetanyl}(1-methyl-1H-pyrazol-4-yl)methanone
S727-0799 Screening compound: {3-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-1-azetanyl}(1-methyl-1H-pyrazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S727-0799
{3-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-1-azetanyl}(1-methyl-1H-pyrazol-4-yl)methanone

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

S727-0799

Molecular Formula

C12H16N6O2 (C12 H16 N6 O2)

Compound Name

{3-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-1-azetanyl}(1-methyl-1H-pyrazol-4-yl)methanone

IUPAC name

n/a

SMILES

Cn1ncc(C(N(C2)CC2n2nnc(COC)c2)=O)c1

InChI

InChI=1S/C12H16N6O2/c1-16-4-9(3-13-16)12(19)17-6-11(7-17)18-5-10(8-20-2)14-15-18/h3-5,11H,6-8H2,1-2H3

InChI Key

IYHWKKNXVGDEOG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.275

Distribution Coefficient, logD

-1.275

Water Solubility, LogSw

-0.12

Polar Surface Area

66.819

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with S727-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S727-0799?
Check Price and Availability of S727-0799, 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 S727-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S727-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S727-0799
  • 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 S727-0799 available by request