S932-2948 Screening compound: 1-(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-4-phenylbutan-1-one

S932-2948 Screening compound: 1-(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-4-phenylbutan-1-one
S932-2948 Screening compound: 1-(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-4-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-2948
1-(3-{4-[(cyclopropylmethoxy)methyl]-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

S932-2948

Molecular Formula

C21H28N4O2 (C21 H28 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCc1ccccc1)N(CC1)CC1n1nnc(COCC2CC2)c1

InChI

InChI=1S/C21H28N4O2/c26-21(8-4-7-17-5-2-1-3-6-17)24-12-11-20(14-24)25-13-19(22-23-25)16-27-15-18-9-10-18/h1-3,5-6,13,18,20H,4,7-12,14-16H2/t20-/m1/s1

InChI Key

YLTKDJQAELXQFA-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD31961096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.07

Polar Surface Area

51.846

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S932-2948 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)

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

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
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 S932-2948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-2948?
Check Price and Availability of S932-2948, 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 S932-2948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-2948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-2948
  • 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 S932-2948 available by request