S727-0692 Screening compound: 4-(methoxymethyl)-1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]-1H-1,2,3-triazole

S727-0692 Screening compound: 4-(methoxymethyl)-1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]-1H-1,2,3-triazole
S727-0692 Screening compound: 4-(methoxymethyl)-1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S727-0692
4-(methoxymethyl)-1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]-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

S727-0692

Molecular Formula

C13H16N4O2S (C13 H16 N4 O2 S)

Compound Name

4-(methoxymethyl)-1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]-1H-1,2,3-triazole

IUPAC name

4-(methoxymethyl)-1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]-1H-123-triazole

SMILES

Cc1ccc(C(N(C2)CC2n2nnc(COC)c2)=O)s1

InChI

InChI=1S/C13H16N4O2S/c1-9-3-4-12(20-9)13(18)16-6-11(7-16)17-5-10(8-19-2)14-15-17/h3-5,11H,6-8H2,1-2H3

InChI Key

ZXYFWXNEDMNDDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31968619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.200

Distribution Coefficient, logD

1.200

Water Solubility, LogSw

-1.91

Polar Surface Area

53.028

Acid Dissociation Constant (pKa)

24.46

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

S727-0692 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with S727-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S727-0692?
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What is the minimum amount of S727-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S727-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S727-0692
  • 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 S727-0692 available by request