T404-1998 Screening compound: 4-methyl-N-{1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl}benzamide

T404-1998 Screening compound: 4-methyl-N-{1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl}benzamide
T404-1998 Screening compound: 4-methyl-N-{1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-1998
4-methyl-N-{1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl}benzamide

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

T404-1998

Molecular Formula

C20H20F3N5O (C20 H20 F3 N5 O)

Compound Name

4-methyl-N-{1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl}benzamide

IUPAC name

4-methyl-N-{1-[6-(trifluoromethyl)-[124]triazolo[43-a]pyridin-3-yl]piperidin-4-yl}benzamide

SMILES

Cc(cc1)ccc1C(NC(CC1)CCN1c1nnc2n1cc(C(F)(F)F)cc2)=O

InChI

InChI=1S/C20H20F3N5O/c1-13-2-4-14(5-3-13)18(29)24-16-8-10-27(11-9-16)19-26-25-17-7-6-15(12-28(17)19)20(21,22)23/h2-7,12,16H,8-11H2,1H3,(H,24,29)

InChI Key

BMZKYLRRDBHYNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27619854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.30

Polar Surface Area

48.681

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

T404-1998 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T404-1998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-1998?
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What is the minimum amount of T404-1998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-1998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-1998
  • 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 T404-1998 available by request