S615-0354 Screening compound: 4-[(3-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

S615-0354 Screening compound: 4-[(3-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole
S615-0354 Screening compound: 4-[(3-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S615-0354
4-[(3-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

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

S615-0354

Molecular Formula

C18H21N5O4S2 (C18 H21 N5 O4 S2)

Compound Name

4-[(3-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

IUPAC name

4-[(3-{3-[2-(cyclopropylmethoxy)ethyl]-124-oxadiazol-5-yl}pyrrolidin-1-yl)sulfonyl]-213-benzothiadiazole

SMILES

O=S(c1cccc2nsnc12)(N(CC1)CC1c1nc(CCOCC2CC2)no1)=O

InChI

InChI=1S/C18H21N5O4S2/c24-29(25,15-3-1-2-14-17(15)22-28-21-14)23-8-6-13(10-23)18-19-16(20-27-18)7-9-26-11-12-4-5-12/h1-3,12-13H,4-11H2/t13-/m1/s1

InChI Key

XYETUIWUNHGHAG-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD31963047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.950

Distribution Coefficient, logD

2.950

Water Solubility, LogSw

-3.11

Polar Surface Area

94.474

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

S615-0354 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S615-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S615-0354?
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What is the minimum amount of S615-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S615-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S615-0354
  • 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 S615-0354 available by request