S727-0004 Screening compound: 1-(azetidin-3-yl)-4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazole

S727-0004 Screening compound: 1-(azetidin-3-yl)-4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazole
S727-0004 Screening compound: 1-(azetidin-3-yl)-4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S727-0004
1-(azetidin-3-yl)-4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazole

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

S727-0004

Molecular Formula

C10H16N4O (C10 H16 N4 O)

Compound Name

1-(azetidin-3-yl)-4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazole

IUPAC name

1-(azetidin-3-yl)-4-[(cyclopropylmethoxy)methyl]-1H-123-triazole

SMILES

C(C1CC1)OCc1cn(C2CNC2)nn1

InChI

InChI=1S/C10H16N4O/c1-2-8(1)6-15-7-9-5-14(13-12-9)10-3-11-4-10/h5,8,10-11H,1-4,6-7H2

InChI Key

QEPDLNSKATXVOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30460285

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

208.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.164

Distribution Coefficient, logD

-3.348

Water Solubility, LogSw

-0.65

Polar Surface Area

47.772

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

10.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

S727-0004 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S727-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S727-0004?
Check Price and Availability of S727-0004, 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 S727-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S727-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S727-0004
  • 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 S727-0004 available by request