S700-0857 Screening compound: 4-[(3-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}azetidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

S700-0857 Screening compound: 4-[(3-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}azetidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole
S700-0857 Screening compound: 4-[(3-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}azetidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S700-0857
4-[(3-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}azetidin-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

S700-0857

Molecular Formula

C17H19N5O4S2 (C17 H19 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S(c1cccc2nsnc12)(N(C1)CC1c1nc(CCOCC2CC2)no1)=O

InChI

InChI=1S/C17H19N5O4S2/c23-28(24,14-3-1-2-13-16(14)21-27-20-13)22-8-12(9-22)17-18-15(19-26-17)6-7-25-10-11-4-5-11/h1-3,11-12H,4-10H2

InChI Key

AYBHYJXHYSRQIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31986187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

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

2.646

Distribution Coefficient, logD

2.646

Water Solubility, LogSw

-2.82

Polar Surface Area

94.372

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

S700-0857 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 S700-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S700-0857?
Check Price and Availability of S700-0857, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S700-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S700-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S700-0857
  • 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 S700-0857 available by request