S932-7616 Screening compound: 1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one

S932-7616 Screening compound: 1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
S932-7616 Screening compound: 1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-7616
1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one

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

S932-7616

Molecular Formula

C20H24N6O2 (C20 H24 N6 O2)

Compound Name

1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one

IUPAC name

1-(3-{4-[(benzyloxy)methyl]-1H-123-triazol-1-yl}pyrrolidin-1-yl)-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one

SMILES

Cc1nn(CC(N(CC2)CC2n2nnc(COCc3ccccc3)c2)=O)cc1

InChI

InChI=1S/C20H24N6O2/c1-16-7-10-25(22-16)13-20(27)24-9-8-19(12-24)26-11-18(21-23-26)15-28-14-17-5-3-2-4-6-17/h2-7,10-11,19H,8-9,12-15H2,1H3/t19-/m1/s1

InChI Key

OJORVOLEKBJAKU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31999977

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

0.803

Distribution Coefficient, logD

0.803

Water Solubility, LogSw

-1.10

Polar Surface Area

65.790

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S932-7616 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 S932-7616 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of S932-7616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-7616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-7616
  • 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 S932-7616 available by request