P218-3587 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{2-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}piperidine

P218-3587 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{2-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}piperidine
P218-3587 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{2-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P218-3587
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{2-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}piperidine

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

P218-3587

Molecular Formula

C25H28F3N5O4S (C25 H28 F3 N5 O4 S)

Compound Name

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{2-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}piperidine

IUPAC name

1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-4-{2-[3-(trifluoromethyl)phenyl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-5-carbonyl}piperidine

SMILES

Cc1noc(C)c1S(N(CC1)CCC1C(N1Cc2cc(-c3cc(C(F)(F)F)ccc3)nn2CCC1)=O)(=O)=O

InChI

InChI=1S/C25H28F3N5O4S/c1-16-23(17(2)37-30-16)38(35,36)32-11-7-18(8-12-32)24(34)31-9-4-10-33-21(15-31)14-22(29-33)19-5-3-6-20(13-19)25(26,27)28/h3,5-6,13-14,18H,4,7-12,15H2,1-2H3

InChI Key

WGRFRJCZTGWTAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31958364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.22

Polar Surface Area

84.166

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

P218-3587 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)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P218-3587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P218-3587?
Check Price and Availability of P218-3587, 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 P218-3587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P218-3587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P218-3587
  • 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 P218-3587 available by request