P221-0378 Screening compound: 1-[2-(thiophen-2-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(thiophen-3-yl)ethan-1-one

P221-0378 Screening compound: 1-[2-(thiophen-2-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(thiophen-3-yl)ethan-1-one
P221-0378 Screening compound: 1-[2-(thiophen-2-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 P221-0378
1-[2-(thiophen-2-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

P221-0378

Molecular Formula

C17H17N3OS2 (C17 H17 N3 OS2)

Compound Name

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

SMILES

O=C(Cc1cscc1)N1Cc2cc(-c3cccs3)nn2CCC1

InChI

InChI=1S/C17H17N3OS2/c21-17(9-13-4-8-22-12-13)19-5-2-6-20-14(11-19)10-15(18-20)16-3-1-7-23-16/h1,3-4,7-8,10,12H,2,5-6,9,11H2

InChI Key

IIFJCIYZEQKYMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.030

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-3.15

Polar Surface Area

31.926

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

P221-0378 in Drug Discovery

Included in Screening Libraries

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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • 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 P221-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P221-0378?
Check Price and Availability of P221-0378, 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 P221-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P221-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P221-0378
  • 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 P221-0378 available by request