S399-1958 Screening compound: 4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanamide

S399-1958 Screening compound: 4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanamide
S399-1958 Screening compound: 4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1958
4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-{2-[5-(pyridin-4-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

S399-1958

Molecular Formula

C26H24N6O4 (C26 H24 N6 O4)

Compound Name

4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanamide

IUPAC name

4-{3-oxo-2-phenyl-2H3H4H-pyrido[32-b][14]oxazin-4-yl}-N-{2-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]ethyl}butanamide

SMILES

O=C(CCCN1c2ncccc2OC(c2ccccc2)C1=O)NCCc1noc(-c2ccncc2)n1

InChI

InChI=1S/C26H24N6O4/c33-22(28-16-12-21-30-25(36-31-21)19-10-14-27-15-11-19)9-5-17-32-24-20(8-4-13-29-24)35-23(26(32)34)18-6-2-1-3-7-18/h1-4,6-8,10-11,13-15,23H,5,9,12,16-17H2,(H,28,33)/t23-/m0/s1

InChI Key

HTNIBDHXTFMCKK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD29014299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.477

Distribution Coefficient, logD

1.477

Water Solubility, LogSw

-1.44

Polar Surface Area

99.471

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

S399-1958 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S399-1958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1958?
Check Price and Availability of S399-1958, 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 S399-1958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1958
  • 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 S399-1958 available by request