S497-1289 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidin-1-yl)propan-1-one

S497-1289 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidin-1-yl)propan-1-one
S497-1289 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S497-1289
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidin-1-yl)propan-1-one

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

S497-1289

Molecular Formula

C22H27N5O4 (C22 H27 N5 O4)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidin-1-yl)propan-1-one

IUPAC name

3-(35-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[3-(2-methoxyethyl)-124-oxadiazol-5-yl]phenoxy}azetidin-1-yl)propan-1-one

SMILES

Cc1cc(C)nn1CCC(N(C1)CC1Oc(cccc1)c1-c1nc(CCOC)no1)=O

InChI

InChI=1S/C22H27N5O4/c1-15-12-16(2)27(24-15)10-8-21(28)26-13-17(14-26)30-19-7-5-4-6-18(19)22-23-20(25-31-22)9-11-29-3/h4-7,12,17H,8-11,13-14H2,1-3H3

InChI Key

HOMBJRBRHSZTSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.115

Distribution Coefficient, logD

1.115

Water Solubility, LogSw

-2.11

Polar Surface Area

77.901

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

S497-1289 in Drug Discovery

Included in Screening Libraries

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S497-1289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S497-1289?
Check Price and Availability of S497-1289, 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 S497-1289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S497-1289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S497-1289
  • 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 S497-1289 available by request