S613-0855 Screening compound: 2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-isopropyl-1-pyrrolidinecarboxamide

S613-0855 Screening compound: 2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-isopropyl-1-pyrrolidinecarboxamide
S613-0855 Screening compound: 2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-isopropyl-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S613-0855
2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-isopropyl-1-pyrrolidinecarboxamide

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

S613-0855

Molecular Formula

C16H26N4O3 (C16 H26 N4 O3)

Compound Name

2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-isopropyl-1-pyrrolidinecarboxamide

IUPAC name

2-{3-[2-(cyclopropylmethoxy)ethyl]-124-oxadiazol-5-yl}-N-(propan-2-yl)pyrrolidine-1-carboxamide

SMILES

CC(C)NC(N(CCC1)C1c1nc(CCOCC2CC2)no1)=O

InChI

InChI=1S/C16H26N4O3/c1-11(2)17-16(21)20-8-3-4-13(20)15-18-14(19-23-15)7-9-22-10-12-5-6-12/h11-13H,3-10H2,1-2H3,(H,17,21)/t13-/m0/s1

InChI Key

HHKYDMXQWYQAGT-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29015404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.235

Distribution Coefficient, logD

2.235

Water Solubility, LogSw

-2.32

Polar Surface Area

67.608

Acid Dissociation Constant (pKa)

17.35

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.25

S613-0855 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S613-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S613-0855?
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What is the minimum amount of S613-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S613-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S613-0855
  • 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 S613-0855 available by request