S399-1723 Screening compound: 4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanamide

S399-1723 Screening compound: 4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanamide
S399-1723 Screening compound: 4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1723
4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanamide

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

S399-1723

Molecular Formula

C22H23N5O4 (C22 H23 N5 O4)

Compound Name

4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanamide

IUPAC name

4-(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-N-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}butanamide

SMILES

Cc(cc1)cc(N2CCCC(NCCc3noc(-c4cnccc4)n3)=O)c1OCC2=O

InChI

InChI=1S/C22H23N5O4/c1-15-6-7-18-17(12-15)27(21(29)14-30-18)11-3-5-20(28)24-10-8-19-25-22(31-26-19)16-4-2-9-23-13-16/h2,4,6-7,9,12-13H,3,5,8,10-11,14H2,1H3,(H,24,28)

InChI Key

JFJVXSDMPBTQKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31974633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.46

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

0.565

Distribution Coefficient, logD

0.472

Water Solubility, LogSw

-1.21

Polar Surface Area

90.545

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

S399-1723 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S399-1723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1723?
Check Price and Availability of S399-1723, 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 S399-1723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1723
  • 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 S399-1723 available by request