P221-1039 Screening compound: N-(2-furylmethyl)-2-(2-thienyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide

P221-1039 Screening compound: N-(2-furylmethyl)-2-(2-thienyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
P221-1039 Screening compound: N-(2-furylmethyl)-2-(2-thienyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P221-1039
N-(2-furylmethyl)-2-(2-thienyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide

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

P221-1039

Molecular Formula

C17H18N4O2S (C17 H18 N4 O2 S)

Compound Name

N-(2-furylmethyl)-2-(2-thienyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-2-(thiophen-2-yl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-5-carboxamide

SMILES

O=C(NCc1ccco1)N1Cc2cc(-c3cccs3)nn2CCC1

InChI

InChI=1S/C17H18N4O2S/c22-17(18-11-14-4-1-8-23-14)20-6-3-7-21-13(12-20)10-15(19-21)16-5-2-9-24-16/h1-2,4-5,8-10H,3,6-7,11-12H2,(H,18,22)

InChI Key

QQIWTXGYZIJDDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

2.671

Water Solubility, LogSw

-3.01

Polar Surface Area

49.327

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

P221-1039 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 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)

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
Targets:
  • Kinases
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 P221-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P221-1039?
Check Price and Availability of P221-1039, 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 P221-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P221-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P221-1039
  • 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 P221-1039 available by request