S727-0126 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}propan-1-one

S727-0126 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}propan-1-one
S727-0126 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S727-0126
3-(1,3-benzothiazol-2-yl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}propan-1-one

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

S727-0126

Molecular Formula

C16H17N5O2S (C16 H17 N5 O2 S)

Compound Name

3-(1,3-benzothiazol-2-yl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}propan-1-one

IUPAC name

3-(13-benzothiazol-2-yl)-1-{3-[4-(hydroxymethyl)-1H-123-triazol-1-yl]azetidin-1-yl}propan-1-one

SMILES

OCc1cn(C(C2)CN2C(CCc2nc(cccc3)c3s2)=O)nn1

InChI

InChI=1S/C16H17N5O2S/c22-10-11-7-21(19-18-11)12-8-20(9-12)16(23)6-5-15-17-13-3-1-2-4-14(13)24-15/h1-4,7,12,22H,5-6,8-10H2

InChI Key

UPRFPMYFPFAQSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.772

Distribution Coefficient, logD

0.772

Water Solubility, LogSw

-1.44

Polar Surface Area

70.390

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

S727-0126 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S727-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S727-0126?
Check Price and Availability of S727-0126, 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 S727-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S727-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S727-0126
  • 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 S727-0126 available by request