T404-1149 Screening compound: 1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-[5-(trifluoromethyl)thiophene-2-carbonyl]-1,4-diazepane

T404-1149 Screening compound: 1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-[5-(trifluoromethyl)thiophene-2-carbonyl]-1,4-diazepane
T404-1149 Screening compound: 1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-[5-(trifluoromethyl)thiophene-2-carbonyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-1149
1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-[5-(trifluoromethyl)thiophene-2-carbonyl]-1,4-diazepane

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

T404-1149

Molecular Formula

C17H15ClF3N5OS (C17 H15 ClF3 N5 OS)

Compound Name

1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-[5-(trifluoromethyl)thiophene-2-carbonyl]-1,4-diazepane

IUPAC name

1-{6-chloro-[124]triazolo[43-a]pyridin-3-yl}-4-[5-(trifluoromethyl)thiophene-2-carbonyl]-14-diazepane

SMILES

O=C(c1ccc(C(F)(F)F)s1)N(CCC1)CCN1c1nnc(cc2)n1cc2Cl

InChI

InChI=1S/C17H15ClF3N5OS/c18-11-2-5-14-22-23-16(26(14)10-11)25-7-1-6-24(8-9-25)15(27)12-3-4-13(28-12)17(19,20)21/h2-5,10H,1,6-9H2

InChI Key

BKYCYFOUFAIZEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27619796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.85

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

4.023

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.34

Polar Surface Area

42.540

Acid Dissociation Constant (pKa)

22.42

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

T404-1149 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T404-1149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-1149?
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What is the minimum amount of T404-1149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-1149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-1149
  • 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 T404-1149 available by request