S633-0148 Screening compound: 3-[1-(1-METHYL-1H-PYRROLE-2-CARBONYL)AZETIDIN-3-YL]-5-(1-METHYLPYRROLIDIN-2-YL)-1,2,4-OXADIAZOLE

S633-0148 Screening compound: 3-[1-(1-METHYL-1H-PYRROLE-2-CARBONYL)AZETIDIN-3-YL]-5-(1-METHYLPYRROLIDIN-2-YL)-1,2,4-OXADIAZOLE
S633-0148 Screening compound: 3-[1-(1-METHYL-1H-PYRROLE-2-CARBONYL)AZETIDIN-3-YL]-5-(1-METHYLPYRROLIDIN-2-YL)-1,2,4-OXADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound S633-0148
3-[1-(1-METHYL-1H-PYRROLE-2-CARBONYL)AZETIDIN-3-YL]-5-(1-METHYLPYRROLIDIN-2-YL)-1,2,4-OXADIAZOLE

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

S633-0148

Molecular Formula

C16H21N5O2 (C16 H21 N5 O2)

Compound Name

3-[1-(1-METHYL-1H-PYRROLE-2-CARBONYL)AZETIDIN-3-YL]-5-(1-METHYLPYRROLIDIN-2-YL)-1,2,4-OXADIAZOLE

IUPAC name

3-[1-(1-methyl-1H-pyrrole-2-carbonyl)azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-124-oxadiazole

SMILES

CN(CCC1)C1c1nc(C(C2)CN2C(c2cccn2C)=O)no1

InChI

InChI=1S/C16H21N5O2/c1-19-7-3-5-12(19)15-17-14(18-23-15)11-9-21(10-11)16(22)13-6-4-8-20(13)2/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3/t12-/m0/s1

InChI Key

YIWDUEOOMHXYGK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29016777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.428

Distribution Coefficient, logD

-0.269

Water Solubility, LogSw

-1.64

Polar Surface Area

54.852

Acid Dissociation Constant (pKa)

26.86

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

S633-0148 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S633-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S633-0148?
Check Price and Availability of S633-0148, 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 S633-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S633-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S633-0148
  • 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 S633-0148 available by request