S932-7551 Screening compound: 3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}-N,N-dimethylpyrrolidine-1-sulfonamide

S932-7551 Screening compound: 3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}-N,N-dimethylpyrrolidine-1-sulfonamide
S932-7551 Screening compound: 3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}-N,N-dimethylpyrrolidine-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-7551
3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}-N,N-dimethylpyrrolidine-1-sulfonamide

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

S932-7551

Molecular Formula

C16H23N5O3S (C16 H23 N5 O3 S)

Compound Name

3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}-N,N-dimethylpyrrolidine-1-sulfonamide

IUPAC name

3-{4-[(benzyloxy)methyl]-1H-123-triazol-1-yl}-NN-dimethylpyrrolidine-1-sulfonamide

SMILES

CN(C)S(N(CC1)CC1n1nnc(COCc2ccccc2)c1)(=O)=O

InChI

InChI=1S/C16H23N5O3S/c1-19(2)25(22,23)20-9-8-16(11-20)21-10-15(17-18-21)13-24-12-14-6-4-3-5-7-14/h3-7,10,16H,8-9,11-13H2,1-2H3/t16-/m1/s1

InChI Key

HKERANFZYFFNKY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD31956926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.891

Distribution Coefficient, logD

0.891

Water Solubility, LogSw

-1.80

Polar Surface Area

71.272

Acid Dissociation Constant (pKa)

24.60

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S932-7551 in Drug Discovery

Included in Screening Libraries

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 S932-7551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-7551?
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What is the minimum amount of S932-7551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-7551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-7551
  • 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 S932-7551 available by request