S376-3311 Screening compound: 2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]-N-(3-methoxyphenyl)acetamide

S376-3311 Screening compound: 2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]-N-(3-methoxyphenyl)acetamide
S376-3311 Screening compound: 2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S376-3311
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]-N-(3-methoxyphenyl)acetamide

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

S376-3311

Molecular Formula

C22H25N5O5 (C22 H25 N5 O5)

Compound Name

2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]-N-(3-methoxyphenyl)acetamide

IUPAC name

2-[4-(5-ethyl-124-oxadiazol-3-yl)-13-dioxo-1H2H3H5H6H7H8H9H-pyrimido[16-a]azepin-2-yl]-N-(3-methoxyphenyl)acetamide

SMILES

CCc1nc(C(C(N2CC(Nc3cc(OC)ccc3)=O)=O)=C(CCCCC3)N3C2=O)no1

InChI

InChI=1S/C22H25N5O5/c1-3-18-24-20(25-32-18)19-16-10-5-4-6-11-26(16)22(30)27(21(19)29)13-17(28)23-14-8-7-9-15(12-14)31-2/h7-9,12H,3-6,10-11,13H2,1-2H3,(H,23,28)

InChI Key

NCUKXQKOWIBHEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28976325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.086

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-3.17

Polar Surface Area

95.015

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

S376-3311 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S376-3311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S376-3311?
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What is the minimum amount of S376-3311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S376-3311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S376-3311
  • 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 S376-3311 available by request