P218-3547 Screening compound: 3-(3-chloro-1,2-oxazol-5-yl)-1-{2-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl}propan-1-one

P218-3547 Screening compound: 3-(3-chloro-1,2-oxazol-5-yl)-1-{2-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl}propan-1-one
P218-3547 Screening compound: 3-(3-chloro-1,2-oxazol-5-yl)-1-{2-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P218-3547
3-(3-chloro-1,2-oxazol-5-yl)-1-{2-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl}propan-1-one

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

P218-3547

Molecular Formula

C20H18ClF3N4O2 (C20 H18 ClF3 N4 O2)

Compound Name

3-(3-chloro-1,2-oxazol-5-yl)-1-{2-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl}propan-1-one

IUPAC name

3-(3-chloro-12-oxazol-5-yl)-1-{2-[3-(trifluoromethyl)phenyl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl}propan-1-one

SMILES

O=C(CCc1cc(Cl)no1)N1Cc2cc(-c3cc(C(F)(F)F)ccc3)nn2CCC1

InChI

InChI=1S/C20H18ClF3N4O2/c21-18-11-16(30-26-18)5-6-19(29)27-7-2-8-28-15(12-27)10-17(25-28)13-3-1-4-14(9-13)20(22,23)24/h1,3-4,9-11H,2,5-8,12H2

InChI Key

ZLAZFLSYCNQGKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31992586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.742

Water Solubility, LogSw

-4.32

Polar Surface Area

50.734

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

P218-3547 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P218-3547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P218-3547?
Check Price and Availability of P218-3547, 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 P218-3547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P218-3547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P218-3547
  • 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 P218-3547 available by request