S497-1192 Screening compound: methyl 4-({3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carbonyl}amino)benzoate

S497-1192 Screening compound: methyl 4-({3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carbonyl}amino)benzoate
S497-1192 Screening compound: methyl 4-({3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S497-1192
methyl 4-({3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carbonyl}amino)benzoate

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

S497-1192

Molecular Formula

C23H22N4O5 (C23 H22 N4 O5)

Compound Name

methyl 4-({3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carbonyl}amino)benzoate

IUPAC name

methyl 4-({3-[2-(3-cyclopropyl-124-oxadiazol-5-yl)phenoxy]azetidine-1-carbonyl}amino)benzoate

SMILES

COC(c(cc1)ccc1NC(N(C1)CC1Oc(cccc1)c1-c1nc(C2CC2)no1)=O)=O

InChI

InChI=1S/C23H22N4O5/c1-30-22(28)15-8-10-16(11-9-15)24-23(29)27-12-17(13-27)31-19-5-3-2-4-18(19)21-25-20(26-32-21)14-6-7-14/h2-5,8-11,14,17H,6-7,12-13H2,1H3,(H,24,29)

InChI Key

DBYMTCUSAKFIDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31983430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.958

Distribution Coefficient, logD

3.958

Water Solubility, LogSw

-4.14

Polar Surface Area

85.357

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

S497-1192 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S497-1192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S497-1192?
Check Price and Availability of S497-1192, 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 S497-1192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S497-1192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S497-1192
  • 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 S497-1192 available by request