S700-0297 Screening compound: 4-({3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

S700-0297 Screening compound: 4-({3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole
S700-0297 Screening compound: 4-({3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S700-0297
4-({3-[3-(2-methoxyethyl)-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

S700-0297

Molecular Formula

C14H15N5O4S2 (C14 H15 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

COCCc1noc(C(C2)CN2S(c2cccc3nsnc23)(=O)=O)n1

InChI

InChI=1S/C14H15N5O4S2/c1-22-6-5-12-15-14(23-16-12)9-7-19(8-9)25(20,21)11-4-2-3-10-13(11)18-24-17-10/h2-4,9H,5-8H2,1H3

InChI Key

POFYJYPFYLZKID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30464972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.726

Distribution Coefficient, logD

1.726

Water Solubility, LogSw

-2.12

Polar Surface Area

94.110

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

S700-0297 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

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

References: we are preparing a list of scientific research reports with S700-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S700-0297?
Check Price and Availability of S700-0297, 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 S700-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S700-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S700-0297
  • 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 S700-0297 available by request