S700-0583 Screening compound: 3-[2-(cyclopropylmethoxy)ethyl]-5-[1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazole

S700-0583 Screening compound: 3-[2-(cyclopropylmethoxy)ethyl]-5-[1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazole
S700-0583 Screening compound: 3-[2-(cyclopropylmethoxy)ethyl]-5-[1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S700-0583
3-[2-(cyclopropylmethoxy)ethyl]-5-[1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazole

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

S700-0583

Molecular Formula

C20H23N3O5 (C20 H23 N3 O5)

Compound Name

3-[2-(cyclopropylmethoxy)ethyl]-5-[1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazole

IUPAC name

3-[2-(cyclopropylmethoxy)ethyl]-5-[1-(23-dihydro-14-benzodioxine-2-carbonyl)azetidin-3-yl]-124-oxadiazole

SMILES

O=C(C1Oc(cccc2)c2OC1)N(C1)CC1c1nc(CCOCC2CC2)no1

InChI

InChI=1S/C20H23N3O5/c24-20(17-12-26-15-3-1-2-4-16(15)27-17)23-9-14(10-23)19-21-18(22-28-19)7-8-25-11-13-5-6-13/h1-4,13-14,17H,5-12H2/t17-/m0/s1

InChI Key

JZVWLUDFVQYNEJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31983368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.601

Distribution Coefficient, logD

2.601

Water Solubility, LogSw

-2.82

Polar Surface Area

73.794

Acid Dissociation Constant (pKa)

21.79

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S700-0583 in Drug Discovery

Included in Screening Libraries

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 S700-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S700-0583?
Check Price and Availability of S700-0583, 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 S700-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S700-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S700-0583
  • 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 S700-0583 available by request