S376-0719 Screening compound: 2-[(4-fluorophenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-1,3-dione

S376-0719 Screening compound: 2-[(4-fluorophenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-1,3-dione
S376-0719 Screening compound: 2-[(4-fluorophenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-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 S376-0719
2-[(4-fluorophenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-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

S376-0719

Molecular Formula

C19H19FN4O3 (C19 H19 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(C(C(N2Cc(cc3)ccc3F)=O)=C(CCCCC3)N3C2=O)no1

InChI

InChI=1S/C19H19FN4O3/c1-12-21-17(22-27-12)16-15-5-3-2-4-10-23(15)19(26)24(18(16)25)11-13-6-8-14(20)9-7-13/h6-9H,2-5,10-11H2,1H3

InChI Key

BABNGPSNYPXZIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28506413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.38

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

2.992

Distribution Coefficient, logD

2.992

Water Solubility, LogSw

-3.00

Polar Surface Area

63.884

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

-6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

S376-0719 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with S376-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S376-0719?
Check Price and Availability of S376-0719, 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 S376-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S376-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S376-0719
  • 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 S376-0719 available by request