S375-3514 Screening compound: N-[(4-chlorophenyl)methyl]-2-[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]acetamide

S375-3514 Screening compound: N-[(4-chlorophenyl)methyl]-2-[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]acetamide
S375-3514 Screening compound: N-[(4-chlorophenyl)methyl]-2-[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]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S375-3514
N-[(4-chlorophenyl)methyl]-2-[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]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

S375-3514

Molecular Formula

C21H22ClN5O4 (C21 H22 ClN5 O4)

Compound Name

N-[(4-chlorophenyl)methyl]-2-[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]acetamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-[4-(5-ethyl-124-oxadiazol-3-yl)-13-dioxo-1H2H3H5H6H7H8H-pyrido[12-c]pyrimidin-2-yl]acetamide

SMILES

CCc1nc(C(C(N2CC(NCc(cc3)ccc3Cl)=O)=O)=C(CCCC3)N3C2=O)no1

InChI

InChI=1S/C21H22ClN5O4/c1-2-17-24-19(25-31-17)18-15-5-3-4-10-26(15)21(30)27(20(18)29)12-16(28)23-11-13-6-8-14(22)9-7-13/h6-9H,2-5,10-12H2,1H3,(H,23,28)

InChI Key

NMGRFGBGXVKMLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28506623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.696

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-3.44

Polar Surface Area

88.462

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

S375-3514 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 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

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

References: we are preparing a list of scientific research reports with S375-3514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S375-3514?
Check Price and Availability of S375-3514, 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 S375-3514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S375-3514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S375-3514
  • 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 S375-3514 available by request