S937-0271 Screening compound: 3-cyclopropyl-4-{1-[4-(propan-2-yl)benzenesulfonyl]azetidin-3-yl}-4H-1,2,4-triazole

S937-0271 Screening compound: 3-cyclopropyl-4-{1-[4-(propan-2-yl)benzenesulfonyl]azetidin-3-yl}-4H-1,2,4-triazole
S937-0271 Screening compound: 3-cyclopropyl-4-{1-[4-(propan-2-yl)benzenesulfonyl]azetidin-3-yl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S937-0271
3-cyclopropyl-4-{1-[4-(propan-2-yl)benzenesulfonyl]azetidin-3-yl}-4H-1,2,4-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

S937-0271

Molecular Formula

C17H22N4O2S (C17 H22 N4 O2 S)

Compound Name

3-cyclopropyl-4-{1-[4-(propan-2-yl)benzenesulfonyl]azetidin-3-yl}-4H-1,2,4-triazole

IUPAC name

3-cyclopropyl-4-{1-[4-(propan-2-yl)benzenesulfonyl]azetidin-3-yl}-4H-124-triazole

SMILES

CC(C)c(cc1)ccc1S(N(C1)CC1n1c(C2CC2)nnc1)(=O)=O

InChI

InChI=1S/C17H22N4O2S/c1-12(2)13-5-7-16(8-6-13)24(22,23)20-9-15(10-20)21-11-18-19-17(21)14-3-4-14/h5-8,11-12,14-15H,3-4,9-10H2,1-2H3

InChI Key

UZZHCIZFQUKDFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.723

Distribution Coefficient, logD

2.704

Water Solubility, LogSw

-3.11

Polar Surface Area

56.855

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

S937-0271 in Drug Discovery

Included in Screening Libraries

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 S937-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S937-0271?
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What is the minimum amount of S937-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S937-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S937-0271
  • 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 S937-0271 available by request