S633-0873 Screening compound: 1H-1,3-benzimidazol-5-yl(3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)methanone

S633-0873 Screening compound: 1H-1,3-benzimidazol-5-yl(3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)methanone
S633-0873 Screening compound: 1H-1,3-benzimidazol-5-yl(3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S633-0873
1H-1,3-benzimidazol-5-yl(3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)methanone

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

S633-0873

Molecular Formula

C21H24N6O2 (C21 H24 N6 O2)

Compound Name

1H-1,3-benzimidazol-5-yl(3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)methanone

IUPAC name

5-(3-{5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-124-oxadiazol-3-yl}azetidine-1-carbonyl)-1H-13-benzodiazole

SMILES

O=C(c(cc1)cc2c1[nH]cn2)N(C1)CC1c1noc(C2N(CC3CC3)CCC2)n1

InChI

InChI=1S/C21H24N6O2/c28-21(14-5-6-16-17(8-14)23-12-22-16)27-10-15(11-27)19-24-20(29-25-19)18-2-1-7-26(18)9-13-3-4-13/h5-6,8,12-13,15,18H,1-4,7,9-11H2,(H,22,23)/t18-/m0/s1

InChI Key

RTRTYGRPYFYUDB-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

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

1.882

Distribution Coefficient, logD

-1.246

Water Solubility, LogSw

-2.40

Polar Surface Area

73.502

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

10.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

S633-0873 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 S633-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S633-0873?
Check Price and Availability of S633-0873, 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 S633-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S633-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S633-0873
  • 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 S633-0873 available by request