T202-1404 Screening compound: 2-(4-fluorophenyl)-5-(3-methoxybenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

T202-1404 Screening compound: 2-(4-fluorophenyl)-5-(3-methoxybenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
T202-1404 Screening compound: 2-(4-fluorophenyl)-5-(3-methoxybenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T202-1404
2-(4-fluorophenyl)-5-(3-methoxybenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

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

T202-1404

Molecular Formula

C21H22FN3O (C21 H22 FN3 O)

Compound Name

2-(4-fluorophenyl)-5-(3-methoxybenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

IUPAC name

2-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepine

SMILES

COc1cccc(CN2Cc3cc(-c(cc4)ccc4F)nn3CCC2)c1

InChI

InChI=1S/C21H22FN3O/c1-26-20-5-2-4-16(12-20)14-24-10-3-11-25-19(15-24)13-21(23-25)17-6-8-18(22)9-7-17/h2,4-9,12-13H,3,10-11,14-15H2,1H3

InChI Key

NXAXDCYSUBGVTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.42

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

3.868

Distribution Coefficient, logD

2.967

Water Solubility, LogSw

-3.97

Polar Surface Area

25.045

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

T202-1404 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T202-1404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T202-1404?
Check Price and Availability of T202-1404, 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 T202-1404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T202-1404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T202-1404
  • 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 T202-1404 available by request