P221-1041 Screening compound: N-(TETRAHYDRO-2-FURANYLMETHYL)-2-(2-THIENYL)-7,8-DIHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-5(6H)-CARBOXAMIDE

P221-1041 Screening compound: N-(TETRAHYDRO-2-FURANYLMETHYL)-2-(2-THIENYL)-7,8-DIHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-5(6H)-CARBOXAMIDE
P221-1041 Screening compound: N-(TETRAHYDRO-2-FURANYLMETHYL)-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 P221-1041
N-(TETRAHYDRO-2-FURANYLMETHYL)-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

P221-1041

Molecular Formula

C17H22N4O2S (C17 H22 N4 O2 S)

Compound Name

N-(TETRAHYDRO-2-FURANYLMETHYL)-2-(2-THIENYL)-7,8-DIHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-5(6H)-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(NCC1OCCC1)N1Cc2cc(-c3cccs3)nn2CCC1

InChI

InChI=1S/C17H22N4O2S/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/h2,5,9-10,14H,1,3-4,6-8,11-12H2,(H,18,22)/t14-/m1/s1

InChI Key

IGRDGKRMNJEDEF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27569719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

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

1.665

Distribution Coefficient, logD

1.665

Water Solubility, LogSw

-2.48

Polar Surface Area

50.233

Acid Dissociation Constant (pKa)

15.91

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

P221-1041 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P221-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P221-1041?
Check Price and Availability of P221-1041, 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 P221-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P221-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P221-1041
  • 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 P221-1041 available by request