S932-7220 Screening compound: 4-[(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

S932-7220 Screening compound: 4-[(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole
S932-7220 Screening compound: 4-[(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-7220
4-[(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

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

S932-7220

Molecular Formula

C17H20N6O3S2 (C17 H20 N6 O3 S2)

Compound Name

4-[(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

IUPAC name

4-[(3-{4-[(cyclopropylmethoxy)methyl]-1H-123-triazol-1-yl}pyrrolidin-1-yl)sulfonyl]-213-benzothiadiazole

SMILES

O=S(c1cccc2nsnc12)(N(CC1)CC1n1nnc(COCC2CC2)c1)=O

InChI

InChI=1S/C17H20N6O3S2/c24-28(25,16-3-1-2-15-17(16)20-27-19-15)22-7-6-14(9-22)23-8-13(18-21-23)11-26-10-12-4-5-12/h1-3,8,12,14H,4-7,9-11H2/t14-/m1/s1

InChI Key

WJVHPDXMLWGLLQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31962017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.909

Distribution Coefficient, logD

1.909

Water Solubility, LogSw

-2.06

Polar Surface Area

88.389

Acid Dissociation Constant (pKa)

24.60

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

S932-7220 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

NOTUM (Wnt signaling) Library (3881 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S932-7220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-7220?
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What is the minimum amount of S932-7220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-7220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-7220
  • 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 S932-7220 available by request