S932-3360 Screening compound: 1-{3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-4-phenylbutan-1-one

S932-3360 Screening compound: 1-{3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-4-phenylbutan-1-one
S932-3360 Screening compound: 1-{3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-4-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-3360
1-{3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-4-phenylbutan-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

S932-3360

Molecular Formula

C23H26N4O2 (C23 H26 N4 O2)

Compound Name

1-{3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-4-phenylbutan-1-one

IUPAC name

1-{3-[4-(phenoxymethyl)-1H-123-triazol-1-yl]pyrrolidin-1-yl}-4-phenylbutan-1-one

SMILES

O=C(CCCc1ccccc1)N(CC1)CC1n1nnc(COc2ccccc2)c1

InChI

InChI=1S/C23H26N4O2/c28-23(13-7-10-19-8-3-1-4-9-19)26-15-14-21(17-26)27-16-20(24-25-27)18-29-22-11-5-2-6-12-22/h1-6,8-9,11-12,16,21H,7,10,13-15,17-18H2/t21-/m1/s1

InChI Key

BKGBGJHUIDMDND-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD31995260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.567

Distribution Coefficient, logD

3.567

Water Solubility, LogSw

-3.40

Polar Surface Area

50.388

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

S932-3360 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with S932-3360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-3360?
Check Price and Availability of S932-3360, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S932-3360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-3360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-3360
  • 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 S932-3360 available by request