S613-0955 Screening compound: 3-(2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-1-methyl-1H-indazole

S613-0955 Screening compound: 3-(2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-1-methyl-1H-indazole
S613-0955 Screening compound: 3-(2-{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 S613-0955
3-(2-{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

S613-0955

Molecular Formula

C23H29N5O3 (C23 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn1nc(C(N(CCC2)C2c2nc(CCOCC3CCCC3)no2)=O)c2c1cccc2

InChI

InChI=1S/C23H29N5O3/c1-27-18-10-5-4-9-17(18)21(25-27)23(29)28-13-6-11-19(28)22-24-20(26-31-22)12-14-30-15-16-7-2-3-8-16/h4-5,9-10,16,19H,2-3,6-8,11-15H2,1H3/t19-/m0/s1

InChI Key

FTZVLILRSTYVEE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31990860

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

3.122

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.16

Polar Surface Area

72.790

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

S613-0955 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 S613-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S613-0955?
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What is the minimum amount of S613-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S613-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S613-0955
  • 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 S613-0955 available by request