T404-1145 Screening compound: 1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-(2-methylbenzoyl)-1,4-diazepane

T404-1145 Screening compound: 1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-(2-methylbenzoyl)-1,4-diazepane
T404-1145 Screening compound: 1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-(2-methylbenzoyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-1145
1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-(2-methylbenzoyl)-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

T404-1145

Molecular Formula

C19H20ClN5O (C19 H20 ClN5 O)

Compound Name

1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-(2-methylbenzoyl)-1,4-diazepane

IUPAC name

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

SMILES

Cc(cccc1)c1C(N(CCC1)CCN1c1nnc(cc2)n1cc2Cl)=O

InChI

InChI=1S/C19H20ClN5O/c1-14-5-2-3-6-16(14)18(26)23-9-4-10-24(12-11-23)19-22-21-17-8-7-15(20)13-25(17)19/h2-3,5-8,13H,4,9-12H2,1H3

InChI Key

YVNCWQNYRNELFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27619795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.067

Distribution Coefficient, logD

3.067

Water Solubility, LogSw

-3.60

Polar Surface Area

41.522

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

T404-1145 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T404-1145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-1145?
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What is the minimum amount of T404-1145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-1145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-1145
  • 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 T404-1145 available by request