S633-0175 Screening compound: 3-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]azetidin-3-yl}-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

S633-0175 Screening compound: 3-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]azetidin-3-yl}-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
S633-0175 Screening compound: 3-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]azetidin-3-yl}-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S633-0175
3-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-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

S633-0175

Molecular Formula

C20H29N5O3 (C20 H29 N5 O3)

Compound Name

3-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]azetidin-3-yl}-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

IUPAC name

3-{1-[1-(2-methoxyethyl)-25-dimethyl-1H-pyrrole-3-carbonyl]azetidin-3-yl}-5-(1-methylpyrrolidin-2-yl)-124-oxadiazole

SMILES

Cc1cc(C(N(C2)CC2c2noc(C3N(C)CCC3)n2)=O)c(C)n1CCOC

InChI

InChI=1S/C20H29N5O3/c1-13-10-16(14(2)25(13)8-9-27-4)20(26)24-11-15(12-24)18-21-19(28-22-18)17-6-5-7-23(17)3/h10,15,17H,5-9,11-12H2,1-4H3/t17-/m0/s1

InChI Key

JGAKEVUJHYFBCM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29013465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.003

Distribution Coefficient, logD

-0.695

Water Solubility, LogSw

-1.58

Polar Surface Area

62.949

Acid Dissociation Constant (pKa)

26.86

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S633-0175 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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S633-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S633-0175?
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What is the minimum amount of S633-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S633-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S633-0175
  • 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 S633-0175 available by request