S376-0878 Screening compound: 4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-[(4-methylphenyl)methyl]-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-1,3-dione

S376-0878 Screening compound: 4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-[(4-methylphenyl)methyl]-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-1,3-dione
S376-0878 Screening compound: 4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-[(4-methylphenyl)methyl]-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S376-0878
4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-[(4-methylphenyl)methyl]-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-1,3-dione

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

S376-0878

Molecular Formula

C20H22N4O3 (C20 H22 N4 O3)

Compound Name

4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-[(4-methylphenyl)methyl]-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-1,3-dione

IUPAC name

4-(5-methyl-124-oxadiazol-3-yl)-2-[(4-methylphenyl)methyl]-1H2H3H5H6H7H8H9H-pyrimido[16-a]azepine-13-dione

SMILES

Cc1nc(C(C(N2Cc3ccc(C)cc3)=O)=C(CCCCC3)N3C2=O)no1

InChI

InChI=1S/C20H22N4O3/c1-13-7-9-15(10-8-13)12-24-19(25)17(18-21-14(2)27-22-18)16-6-4-3-5-11-23(16)20(24)26/h7-10H,3-6,11-12H2,1-2H3

InChI Key

QMNYCRHUFYGHAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28805815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.387

Distribution Coefficient, logD

3.387

Water Solubility, LogSw

-3.36

Polar Surface Area

63.884

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S376-0878 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S376-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S376-0878?
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What is the minimum amount of S376-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S376-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S376-0878
  • 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 S376-0878 available by request