S633-0199 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-1-{3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl}propan-1-one

S633-0199 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-1-{3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl}propan-1-one
S633-0199 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-1-{3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S633-0199
3-(1H-1,3-benzodiazol-2-yl)-1-{3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl}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

S633-0199

Molecular Formula

C20H24N6O2 (C20 H24 N6 O2)

Compound Name

3-(1H-1,3-benzodiazol-2-yl)-1-{3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl}propan-1-one

IUPAC name

n/a

SMILES

CN(CCC1)C1c1nc(C(C2)CN2C(CCc2nc(cccc3)c3[nH]2)=O)no1

InChI

InChI=1S/C20H24N6O2/c1-25-10-4-7-16(25)20-23-19(24-28-20)13-11-26(12-13)18(27)9-8-17-21-14-5-2-3-6-15(14)22-17/h2-3,5-6,13,16H,4,7-12H2,1H3,(H,21,22)/t16-/m0/s1

InChI Key

QVNPYJNLFVIQJI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29013466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.505

Distribution Coefficient, logD

-0.193

Water Solubility, LogSw

-1.97

Polar Surface Area

72.189

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S633-0199 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S633-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S633-0199?
Check Price and Availability of S633-0199, 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 S633-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S633-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S633-0199
  • 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 S633-0199 available by request