S615-0507 Screening compound: 3-(3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-1-methyl-1H-indazole

S615-0507 Screening compound: 3-(3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-1-methyl-1H-indazole
S615-0507 Screening compound: 3-(3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-1-methyl-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S615-0507
3-(3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-1-methyl-1H-indazole

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

S615-0507

Molecular Formula

C23H29N5O3 (C23 H29 N5 O3)

Compound Name

3-(3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-1-methyl-1H-indazole

IUPAC name

3-(3-{3-[2-(cyclopentylmethoxy)ethyl]-124-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-1-methyl-1H-indazole

SMILES

Cn1nc(C(N(CC2)CC2c2nc(CCOCC3CCCC3)no2)=O)c2c1cccc2

InChI

InChI=1S/C23H29N5O3/c1-27-19-9-5-4-8-18(19)21(25-27)23(29)28-12-10-17(14-28)22-24-20(26-31-22)11-13-30-15-16-6-2-3-7-16/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3/t17-/m1/s1

InChI Key

UKEJFQHTSIUJAN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31989376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.298

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.44

Polar Surface Area

73.030

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

S615-0507 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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

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

References: we are preparing a list of scientific research reports with S615-0507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S615-0507?
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What is the minimum amount of S615-0507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S615-0507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S615-0507
  • 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 S615-0507 available by request