P221-0018 Screening compound: 1-[2-(pyridin-4-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(thiophen-3-yl)ethan-1-one

P221-0018 Screening compound: 1-[2-(pyridin-4-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(thiophen-3-yl)ethan-1-one
P221-0018 Screening compound: 1-[2-(pyridin-4-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(thiophen-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P221-0018
1-[2-(pyridin-4-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(thiophen-3-yl)ethan-1-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

P221-0018

Molecular Formula

C18H18N4OS (C18 H18 N4 OS)

Compound Name

1-[2-(pyridin-4-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(thiophen-3-yl)ethan-1-one

IUPAC name

1-[2-(pyridin-4-yl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl]-2-(thiophen-3-yl)ethan-1-one

SMILES

O=C(Cc1cscc1)N1Cc2cc(-c3ccncc3)nn2CCC1

InChI

InChI=1S/C18H18N4OS/c23-18(10-14-4-9-24-13-14)21-7-1-8-22-16(12-21)11-17(20-22)15-2-5-19-6-3-15/h2-6,9,11,13H,1,7-8,10,12H2

InChI Key

NQLNJKLWULMMMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.117

Distribution Coefficient, logD

2.116

Water Solubility, LogSw

-2.53

Polar Surface Area

40.336

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

P221-0018 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • 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 P221-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P221-0018?
Check Price and Availability of P221-0018, 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 P221-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P221-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P221-0018
  • 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 P221-0018 available by request