P221-0817 Screening compound: METHYL 2-PHENYL-2-({[2-(4-PYRIDYL)-7,8-DIHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5(6H)-YL]CARBONYL}AMINO)ACETATE

P221-0817 Screening compound: METHYL 2-PHENYL-2-({[2-(4-PYRIDYL)-7,8-DIHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5(6H)-YL]CARBONYL}AMINO)ACETATE
P221-0817 Screening compound: METHYL 2-PHENYL-2-({[2-(4-PYRIDYL)-7,8-DIHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5(6H)-YL]CARBONYL}AMINO)ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound P221-0817
METHYL 2-PHENYL-2-({[2-(4-PYRIDYL)-7,8-DIHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5(6H)-YL]CARBONYL}AMINO)ACETATE

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

P221-0817

Molecular Formula

C22H23N5O3 (C22 H23 N5 O3)

Compound Name

METHYL 2-PHENYL-2-({[2-(4-PYRIDYL)-7,8-DIHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5(6H)-YL]CARBONYL}AMINO)ACETATE

IUPAC name

n/a

SMILES

COC(C(c1ccccc1)NC(N1Cc2cc(-c3ccncc3)nn2CCC1)=O)=O

InChI

InChI=1S/C22H23N5O3/c1-30-21(28)20(17-6-3-2-4-7-17)24-22(29)26-12-5-13-27-18(15-26)14-19(25-27)16-8-10-23-11-9-16/h2-4,6-11,14,20H,5,12-13,15H2,1H3,(H,24,29)/t20-/m1/s1

InChI Key

YZVBVMMYUDMMEW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27569693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.987

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-2.34

Polar Surface Area

70.514

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

P221-0817 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Integrin Receptors Targeted library (1715 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with P221-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P221-0817?
Check Price and Availability of P221-0817, 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 P221-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P221-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P221-0817
  • 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 P221-0817 available by request