S375-3572 Screening compound: 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidine-1,3-dione

S375-3572 Screening compound: 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidine-1,3-dione
S375-3572 Screening compound: 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidine-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S375-3572
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidine-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

S375-3572

Molecular Formula

C20H19F3N4O3 (C20 H19 F3 N4 O3)

Compound Name

4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidine-1,3-dione

IUPAC name

4-(5-ethyl-124-oxadiazol-3-yl)-2-{[2-(trifluoromethyl)phenyl]methyl}-1H2H3H5H6H7H8H-pyrido[12-c]pyrimidine-13-dione

SMILES

CCc1nc(C(C(N2Cc3c(C(F)(F)F)cccc3)=O)=C(CCCC3)N3C2=O)no1

InChI

InChI=1S/C20H19F3N4O3/c1-2-15-24-17(25-30-15)16-14-9-5-6-10-26(14)19(29)27(18(16)28)11-12-7-3-4-8-13(12)20(21,22)23/h3-4,7-8H,2,5-6,9-11H2,1H3

InChI Key

RYRSVOZCNHSATN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-3.85

Polar Surface Area

63.991

Acid Dissociation Constant (pKa)

27.60

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S375-3572 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)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S375-3572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S375-3572?
Check Price and Availability of S375-3572, 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 S375-3572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S375-3572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S375-3572
  • 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 S375-3572 available by request