S633-7546 Screening compound: N-METHYL-2-{3-[1-(QUINOLINE-2-CARBONYL)AZETIDIN-3-YL]-1,2,4-OXADIAZOL-5-YL}PYRROLIDINE-1-CARBOXAMIDE

S633-7546 Screening compound: N-METHYL-2-{3-[1-(QUINOLINE-2-CARBONYL)AZETIDIN-3-YL]-1,2,4-OXADIAZOL-5-YL}PYRROLIDINE-1-CARBOXAMIDE
S633-7546 Screening compound: N-METHYL-2-{3-[1-(QUINOLINE-2-CARBONYL)AZETIDIN-3-YL]-1,2,4-OXADIAZOL-5-YL}PYRROLIDINE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S633-7546
N-METHYL-2-{3-[1-(QUINOLINE-2-CARBONYL)AZETIDIN-3-YL]-1,2,4-OXADIAZOL-5-YL}PYRROLIDINE-1-CARBOXAMIDE

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

S633-7546

Molecular Formula

C21H22N6O3 (C21 H22 N6 O3)

Compound Name

N-METHYL-2-{3-[1-(QUINOLINE-2-CARBONYL)AZETIDIN-3-YL]-1,2,4-OXADIAZOL-5-YL}PYRROLIDINE-1-CARBOXAMIDE

IUPAC name

n/a

SMILES

CNC(N(CCC1)C1c1nc(C(C2)CN2C(c2nc3ccccc3cc2)=O)no1)=O

InChI

InChI=1S/C21H22N6O3/c1-22-21(29)27-10-4-7-17(27)19-24-18(25-30-19)14-11-26(12-14)20(28)16-9-8-13-5-2-3-6-15(13)23-16/h2-3,5-6,8-9,14,17H,4,7,10-12H2,1H3,(H,22,29)/t17-/m0/s1

InChI Key

BNZUJKJTMTYLJQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31962420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.239

Distribution Coefficient, logD

2.239

Water Solubility, LogSw

-2.76

Polar Surface Area

84.094

Acid Dissociation Constant (pKa)

17.15

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

S633-7546 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S633-7546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S633-7546?
Check Price and Availability of S633-7546, 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 S633-7546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S633-7546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S633-7546
  • 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 S633-7546 available by request