T404-0499 Screening compound: 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine

T404-0499 Screening compound: 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine
T404-0499 Screening compound: 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-0499
1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine

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

T404-0499

Molecular Formula

C20H20F3N5OS (C20 H20 F3 N5 OS)

Compound Name

1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine

IUPAC name

1-(4567-tetrahydro-1-benzothiophene-2-carbonyl)-4-[6-(trifluoromethyl)-[124]triazolo[43-a]pyridin-3-yl]piperazine

SMILES

O=C(c1cc(CCCC2)c2s1)N(CC1)CCN1c1nnc2n1cc(C(F)(F)F)cc2

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.843

Distribution Coefficient, logD

3.843

Water Solubility, LogSw

-3.96

Polar Surface Area

42.130

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

-8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T404-0499 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with T404-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-0499?
Check Price and Availability of T404-0499, 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 T404-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-0499
  • 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 T404-0499 available by request