P221-1310 Screening compound: 4-{[2-(pyridin-3-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}-2,1,3-benzothiadiazole

P221-1310 Screening compound: 4-{[2-(pyridin-3-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}-2,1,3-benzothiadiazole
P221-1310 Screening compound: 4-{[2-(pyridin-3-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P221-1310
4-{[2-(pyridin-3-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}-2,1,3-benzothiadiazole

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

P221-1310

Molecular Formula

C18H16N6O2S2 (C18 H16 N6 O2 S2)

Compound Name

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

IUPAC name

4-{[2-(pyridin-3-yl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl]sulfonyl}-213-benzothiadiazole

SMILES

O=S(c1cccc2nsnc12)(N1Cc2cc(-c3cnccc3)nn2CCC1)=O

InChI

InChI=1S/C18H16N6O2S2/c25-28(26,17-6-1-5-15-18(17)22-27-21-15)23-8-3-9-24-14(12-23)10-16(20-24)13-4-2-7-19-11-13/h1-2,4-7,10-11H,3,8-9,12H2

InChI Key

MKRBVPTZGAAIJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.889

Distribution Coefficient, logD

1.788

Water Solubility, LogSw

-1.93

Polar Surface Area

75.950

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

P221-1310 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Eccentric PPI Library (11937 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with P221-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P221-1310?
Check Price and Availability of P221-1310, 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 P221-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P221-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P221-1310
  • 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 P221-1310 available by request