S932-7599 Screening compound: 4-[(benzyloxy)methyl]-1-[1-(1-ethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazole

S932-7599 Screening compound: 4-[(benzyloxy)methyl]-1-[1-(1-ethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazole
S932-7599 Screening compound: 4-[(benzyloxy)methyl]-1-[1-(1-ethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-7599
4-[(benzyloxy)methyl]-1-[1-(1-ethyl-1H-pyrazole-4-carbonyl)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

S932-7599

Molecular Formula

C20H24N6O2 (C20 H24 N6 O2)

Compound Name

4-[(benzyloxy)methyl]-1-[1-(1-ethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazole

IUPAC name

4-[(benzyloxy)methyl]-1-[1-(1-ethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-123-triazole

SMILES

CCn1ncc(C(N(CC2)CC2n2nnc(COCc3ccccc3)c2)=O)c1

InChI

InChI=1S/C20H24N6O2/c1-2-25-11-17(10-21-25)20(27)24-9-8-19(13-24)26-12-18(22-23-26)15-28-14-16-6-4-3-5-7-16/h3-7,10-12,19H,2,8-9,13-15H2,1H3/t19-/m1/s1

InChI Key

ACIZNWBQHAQWOH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31999730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.120

Distribution Coefficient, logD

1.120

Water Solubility, LogSw

-1.49

Polar Surface Area

66.352

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S932-7599 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S932-7599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-7599?
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What is the minimum amount of S932-7599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-7599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-7599
  • 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 S932-7599 available by request