S932-2599 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl}-1H-1,2,3-triazole

S932-2599 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl}-1H-1,2,3-triazole
S932-2599 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl}-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-2599
4-[(cyclopropylmethoxy)methyl]-1-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-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

S932-2599

Molecular Formula

C16H24N6O3S (C16 H24 N6 O3 S)

Compound Name

4-[(cyclopropylmethoxy)methyl]-1-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl}-1H-1,2,3-triazole

IUPAC name

4-[(cyclopropylmethoxy)methyl]-1-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl}-1H-123-triazole

SMILES

CCn1ncc(S(N(CC2)CC2n2nnc(COCC3CC3)c2)(=O)=O)c1

InChI

InChI=1S/C16H24N6O3S/c1-2-20-10-16(7-17-20)26(23,24)21-6-5-15(9-21)22-8-14(18-19-22)12-25-11-13-3-4-13/h7-8,10,13,15H,2-6,9,11-12H2,1H3/t15-/m1/s1

InChI Key

VGJXIKRYKIYLHG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31960847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.445

Distribution Coefficient, logD

0.445

Water Solubility, LogSw

-1.30

Polar Surface Area

81.938

Acid Dissociation Constant (pKa)

24.60

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

S932-2599 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S932-2599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-2599?
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What is the minimum amount of S932-2599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-2599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-2599
  • 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 S932-2599 available by request