P218-3650 Screening compound: [2-(3-FLUOROPHENYL)-7,8-DIHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5(6H)-YL][1-(MORPHOLINOSULFONYL)-4-PIPERIDYL]METHANONE

P218-3650 Screening compound: [2-(3-FLUOROPHENYL)-7,8-DIHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5(6H)-YL][1-(MORPHOLINOSULFONYL)-4-PIPERIDYL]METHANONE
P218-3650 Screening compound: [2-(3-FLUOROPHENYL)-7,8-DIHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5(6H)-YL][1-(MORPHOLINOSULFONYL)-4-PIPERIDYL]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P218-3650
[2-(3-FLUOROPHENYL)-7,8-DIHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5(6H)-YL][1-(MORPHOLINOSULFONYL)-4-PIPERIDYL]METHANONE

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

P218-3650

Molecular Formula

C23H30FN5O4S (C23 H30 FN5 O4 S)

Compound Name

[2-(3-FLUOROPHENYL)-7,8-DIHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5(6H)-YL][1-(MORPHOLINOSULFONYL)-4-PIPERIDYL]METHANONE

IUPAC name

4-({4-[2-(3-fluorophenyl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-5-carbonyl]piperidin-1-yl}sulfonyl)morpholine

SMILES

O=C(C(CC1)CCN1S(N1CCOCC1)(=O)=O)N1Cc2cc(-c3cc(F)ccc3)nn2CCC1

InChI

InChI=1S/C23H30FN5O4S/c24-20-4-1-3-19(15-20)22-16-21-17-26(7-2-8-29(21)25-22)23(30)18-5-9-27(10-6-18)34(31,32)28-11-13-33-14-12-28/h1,3-4,15-16,18H,2,5-14,17H2

InChI Key

YSSZPRFRFOJQFF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

1.516

Water Solubility, LogSw

-2.31

Polar Surface Area

72.442

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.52

P218-3650 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with P218-3650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P218-3650?
Check Price and Availability of P218-3650, 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 P218-3650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P218-3650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P218-3650
  • 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 P218-3650 available by request