S376-3151 Screening compound: 2-[4-(5-methyl-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-[(4-methylphenyl)methyl]acetamide

S376-3151 Screening compound: 2-[4-(5-methyl-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-[(4-methylphenyl)methyl]acetamide
S376-3151 Screening compound: 2-[4-(5-methyl-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-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S376-3151
2-[4-(5-methyl-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-[(4-methylphenyl)methyl]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

S376-3151

Molecular Formula

C22H25N5O4 (C22 H25 N5 O4)

Compound Name

2-[4-(5-methyl-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-[(4-methylphenyl)methyl]acetamide

IUPAC name

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

SMILES

Cc1nc(C(C(N2CC(NCc3ccc(C)cc3)=O)=O)=C(CCCCC3)N3C2=O)no1

InChI

InChI=1S/C22H25N5O4/c1-14-7-9-16(10-8-14)12-23-18(28)13-27-21(29)19(20-24-15(2)31-25-20)17-6-4-3-5-11-26(17)22(27)30/h7-10H,3-6,11-13H2,1-2H3,(H,23,28)

InChI Key

ANLLSCFKMDDBAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28506558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

2.370

Water Solubility, LogSw

-2.83

Polar Surface Area

88.356

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

S376-3151 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 S376-3151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S376-3151?
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What is the minimum amount of S376-3151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S376-3151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S376-3151
  • 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 S376-3151 available by request