P221-1309 Screening compound: 8-{[2-(pyridin-3-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}quinoline

P221-1309 Screening compound: 8-{[2-(pyridin-3-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}quinoline
P221-1309 Screening compound: 8-{[2-(pyridin-3-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound P221-1309
8-{[2-(pyridin-3-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}quinoline

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

P221-1309

Molecular Formula

C21H19N5O2S (C21 H19 N5 O2 S)

Compound Name

8-{[2-(pyridin-3-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}quinoline

IUPAC name

8-{[2-(pyridin-3-yl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl]sulfonyl}quinoline

SMILES

O=S(c1cccc2cccnc12)(N1Cc2cc(-c3cnccc3)nn2CCC1)=O

InChI

InChI=1S/C21H19N5O2S/c27-29(28,20-8-1-5-16-6-3-10-23-21(16)20)25-11-4-12-26-18(15-25)13-19(24-26)17-7-2-9-22-14-17/h1-3,5-10,13-14H,4,11-12,15H2

InChI Key

ZXKMHHLJQQVRBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.694

Distribution Coefficient, logD

1.593

Water Solubility, LogSw

-2.10

Polar Surface Area

64.531

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

P221-1309 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 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:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P221-1309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P221-1309?
Check Price and Availability of P221-1309, 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 P221-1309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P221-1309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P221-1309
  • 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 P221-1309 available by request