S727-0165 Screening compound: 2-(1-azepanyl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-1-azetanyl}-1-ethanone

S727-0165 Screening compound: 2-(1-azepanyl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-1-azetanyl}-1-ethanone
S727-0165 Screening compound: 2-(1-azepanyl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-1-azetanyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S727-0165
2-(1-azepanyl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-1-azetanyl}-1-ethanone

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

S727-0165

Molecular Formula

C14H23N5O2 (C14 H23 N5 O2)

Compound Name

2-(1-azepanyl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-1-azetanyl}-1-ethanone

IUPAC name

2-(azepan-1-yl)-1-{3-[4-(hydroxymethyl)-1H-123-triazol-1-yl]azetidin-1-yl}ethan-1-one

SMILES

OCc1cn(C(C2)CN2C(CN2CCCCCC2)=O)nn1

InChI

InChI=1S/C14H23N5O2/c20-11-12-7-19(16-15-12)13-8-18(9-13)14(21)10-17-5-3-1-2-4-6-17/h7,13,20H,1-6,8-11H2

InChI Key

SPXONJHWSPONCI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.537

Distribution Coefficient, logD

-1.773

Water Solubility, LogSw

0.03

Polar Surface Area

64.509

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.57

References: we are preparing a list of scientific research reports with S727-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S727-0165?
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What is the minimum amount of S727-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S727-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S727-0165
  • 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 S727-0165 available by request