T404-0869 Screening compound: 1-(4-chlorobenzoyl)-4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}-1,4-diazepane

T404-0869 Screening compound: 1-(4-chlorobenzoyl)-4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}-1,4-diazepane
T404-0869 Screening compound: 1-(4-chlorobenzoyl)-4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-0869
1-(4-chlorobenzoyl)-4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}-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

T404-0869

Molecular Formula

C18H18ClN5O (C18 H18 ClN5 O)

Compound Name

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

IUPAC name

1-(4-chlorobenzoyl)-4-{[124]triazolo[43-a]pyridin-3-yl}-14-diazepane

SMILES

O=C(c(cc1)ccc1Cl)N(CCC1)CCN1c1nnc2n1cccc2

InChI

InChI=1S/C18H18ClN5O/c19-15-7-5-14(6-8-15)17(25)22-9-3-10-23(13-12-22)18-21-20-16-4-1-2-11-24(16)18/h1-2,4-8,11H,3,9-10,12-13H2

InChI Key

HLQMEUDCWXOUSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27619770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.83

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

2.289

Distribution Coefficient, logD

2.289

Water Solubility, LogSw

-2.92

Polar Surface Area

41.629

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

T404-0869 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 T404-0869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-0869?
Check Price and Availability of T404-0869, 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 T404-0869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-0869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-0869
  • 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 T404-0869 available by request