P221-0795 Screening compound: ethyl 4-[({[2-(4-pyridyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)methyl]-1-cyclohexanecarboxylate

P221-0795 Screening compound: ethyl 4-[({[2-(4-pyridyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)methyl]-1-cyclohexanecarboxylate
P221-0795 Screening compound: ethyl 4-[({[2-(4-pyridyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)methyl]-1-cyclohexanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P221-0795
ethyl 4-[({[2-(4-pyridyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)methyl]-1-cyclohexanecarboxylate

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

P221-0795

Molecular Formula

C23H31N5O3 (C23 H31 N5 O3)

Compound Name

ethyl 4-[({[2-(4-pyridyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)methyl]-1-cyclohexanecarboxylate

IUPAC name

n/a

SMILES

CCOC(C1CCC(CNC(N2Cc3cc(-c4ccncc4)nn3CCC2)=O)CC1)=O

InChI

InChI=1S/C23H31N5O3/c1-2-31-22(29)19-6-4-17(5-7-19)15-25-23(30)27-12-3-13-28-20(16-27)14-21(26-28)18-8-10-24-11-9-18/h8-11,14,17,19H,2-7,12-13,15-16H2,1H3,(H,25,30)

InChI Key

ROUOWOIPURQGRC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

2.805

Water Solubility, LogSw

-3.02

Polar Surface Area

70.934

Acid Dissociation Constant (pKa)

16.31

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

P221-0795 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Integrin Receptors Targeted library (1715 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with P221-0795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P221-0795?
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What is the minimum amount of P221-0795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P221-0795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P221-0795
  • 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 P221-0795 available by request