P218-3952 Screening compound: 3-methyl-6-[(3-{2-phenyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}piperidin-1-yl)sulfonyl]-2,3-dihydro-1,3-benzoxazol-2-one

P218-3952 Screening compound: 3-methyl-6-[(3-{2-phenyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}piperidin-1-yl)sulfonyl]-2,3-dihydro-1,3-benzoxazol-2-one
P218-3952 Screening compound: 3-methyl-6-[(3-{2-phenyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}piperidin-1-yl)sulfonyl]-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P218-3952
3-methyl-6-[(3-{2-phenyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}piperidin-1-yl)sulfonyl]-2,3-dihydro-1,3-benzoxazol-2-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

P218-3952

Molecular Formula

C27H29N5O5S (C27 H29 N5 O5 S)

Compound Name

3-methyl-6-[(3-{2-phenyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}piperidin-1-yl)sulfonyl]-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-methyl-6-[(3-{2-phenyl-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-5-carbonyl}piperidin-1-yl)sulfonyl]-23-dihydro-13-benzoxazol-2-one

SMILES

CN(c(ccc(S(N(CCC1)CC1C(N1Cc2cc(-c3ccccc3)nn2CCC1)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C27H29N5O5S/c1-29-24-11-10-22(16-25(24)37-27(29)34)38(35,36)31-13-5-9-20(17-31)26(33)30-12-6-14-32-21(18-30)15-23(28-32)19-7-3-2-4-8-19/h2-4,7-8,10-11,15-16,20H,5-6,9,12-14,17-18H2,1H3/t20-/m0/s1

InChI Key

ASYGSWUKSXQVAS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31980502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.596

Distribution Coefficient, logD

2.596

Water Solubility, LogSw

-3.23

Polar Surface Area

84.927

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.04

P218-3952 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P218-3952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P218-3952?
Check Price and Availability of P218-3952, 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 P218-3952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P218-3952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P218-3952
  • 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 P218-3952 available by request