S375-3487 Screening compound: 4-{[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]methyl}benzonitrile

S375-3487 Screening compound: 4-{[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]methyl}benzonitrile
S375-3487 Screening compound: 4-{[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S375-3487
4-{[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]methyl}benzonitrile

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

S375-3487

Molecular Formula

C20H19N5O3 (C20 H19 N5 O3)

Compound Name

4-{[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]methyl}benzonitrile

IUPAC name

4-{[4-(5-ethyl-124-oxadiazol-3-yl)-13-dioxo-1H2H3H5H6H7H8H-pyrido[12-c]pyrimidin-2-yl]methyl}benzonitrile

SMILES

CCc1nc(C(C(N2Cc(cc3)ccc3C#N)=O)=C(CCCC3)N3C2=O)no1

InChI

InChI=1S/C20H19N5O3/c1-2-16-22-18(23-28-16)17-15-5-3-4-10-24(15)20(27)25(19(17)26)12-14-8-6-13(11-21)7-9-14/h6-9H,2-5,10,12H2,1H3

InChI Key

KDDYTSCAXLRBFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28805831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.773

Distribution Coefficient, logD

2.773

Water Solubility, LogSw

-2.79

Polar Surface Area

81.047

Acid Dissociation Constant (pKa)

27.92

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S375-3487 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 S375-3487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S375-3487?
Check Price and Availability of S375-3487, 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 S375-3487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S375-3487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S375-3487
  • 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 S375-3487 available by request