S727-1020 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]-1H-1,2,3-triazole

S727-1020 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]-1H-1,2,3-triazole
S727-1020 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S727-1020
4-[(cyclopropylmethoxy)methyl]-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

S727-1020

Molecular Formula

C16H20N4O2S (C16 H20 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(N(C2)CC2n2nnc(COCC3CC3)c2)=O)s1

InChI

InChI=1S/C16H20N4O2S/c1-11-2-5-15(23-11)16(21)19-7-14(8-19)20-6-13(17-18-20)10-22-9-12-3-4-12/h2,5-6,12,14H,3-4,7-10H2,1H3

InChI Key

FOTJMMLEOGAARP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31967814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.216

Distribution Coefficient, logD

2.216

Water Solubility, LogSw

-2.28

Polar Surface Area

53.290

Acid Dissociation Constant (pKa)

24.46

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

S727-1020 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S727-1020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S727-1020?
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What is the minimum amount of S727-1020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S727-1020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S727-1020
  • 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 S727-1020 available by request