T200-0451 Screening compound: 3-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}pyridine

T200-0451 Screening compound: 3-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}pyridine
T200-0451 Screening compound: 3-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound T200-0451
3-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}pyridine

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

T200-0451

Molecular Formula

C20H17F3N4O (C20 H17 F3 N4 O)

Compound Name

3-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl}pyridine

IUPAC name

3-{2-[4-(trifluoromethyl)phenyl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-5-carbonyl}pyridine

SMILES

O=C(c1cnccc1)N1Cc2cc(-c3ccc(C(F)(F)F)cc3)nn2CCC1

InChI

InChI=1S/C20H17F3N4O/c21-20(22,23)16-6-4-14(5-7-16)18-11-17-13-26(9-2-10-27(17)25-18)19(28)15-3-1-8-24-12-15/h1,3-8,11-12H,2,9-10,13H2

InChI Key

FWXUXIUOCNCAMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.827

Distribution Coefficient, logD

2.827

Water Solubility, LogSw

-2.99

Polar Surface Area

39.935

Acid Dissociation Constant (pKa)

26.74

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

T200-0451 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 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 T200-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T200-0451?
Check Price and Availability of T200-0451, 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 T200-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T200-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T200-0451
  • 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 T200-0451 available by request