S932-7563 Screening compound: 1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-3-(3-methoxyphenyl)propan-1-one

S932-7563 Screening compound: 1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-3-(3-methoxyphenyl)propan-1-one
S932-7563 Screening compound: 1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-3-(3-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-7563
1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-3-(3-methoxyphenyl)propan-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

S932-7563

Molecular Formula

C24H28N4O3 (C24 H28 N4 O3)

Compound Name

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

IUPAC name

1-(3-{4-[(benzyloxy)methyl]-1H-123-triazol-1-yl}pyrrolidin-1-yl)-3-(3-methoxyphenyl)propan-1-one

SMILES

COc1cccc(CCC(N(CC2)CC2n2nnc(COCc3ccccc3)c2)=O)c1

InChI

InChI=1S/C24H28N4O3/c1-30-23-9-5-8-19(14-23)10-11-24(29)27-13-12-22(16-27)28-15-21(25-26-28)18-31-17-20-6-3-2-4-7-20/h2-9,14-15,22H,10-13,16-18H2,1H3/t22-/m1/s1

InChI Key

CLGRKXBTOMWAQC-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD31999600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.016

Distribution Coefficient, logD

3.016

Water Solubility, LogSw

-3.12

Polar Surface Area

58.867

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S932-7563 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 S932-7563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-7563?
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What is the minimum amount of S932-7563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-7563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-7563
  • 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 S932-7563 available by request