T202-0025 Screening compound: 3-{[2-(3,4-dimethoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}benzonitrile

T202-0025 Screening compound: 3-{[2-(3,4-dimethoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}benzonitrile
T202-0025 Screening compound: 3-{[2-(3,4-dimethoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T202-0025
3-{[2-(3,4-dimethoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}benzonitrile

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

T202-0025

Molecular Formula

C22H22N4O4S (C22 H22 N4 O4 S)

Compound Name

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

IUPAC name

3-{[2-(34-dimethoxyphenyl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl]sulfonyl}benzonitrile

SMILES

COc(ccc(-c1nn(CCCN(C2)S(c3cc(C#N)ccc3)(=O)=O)c2c1)c1)c1OC

InChI

InChI=1S/C22H22N4O4S/c1-29-21-8-7-17(12-22(21)30-2)20-13-18-15-25(9-4-10-26(18)24-20)31(27,28)19-6-3-5-16(11-19)14-23/h3,5-8,11-13H,4,9-10,15H2,1-2H3

InChI Key

HUDUZGIRFYASIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.590

Distribution Coefficient, logD

2.590

Water Solubility, LogSw

-2.88

Polar Surface Area

77.797

Acid Dissociation Constant (pKa)

26.51

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

T202-0025 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T202-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T202-0025?
Check Price and Availability of T202-0025, 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 T202-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T202-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T202-0025
  • 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 T202-0025 available by request