T403-0556 Screening compound: methyl 3-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine-3-amido)benzoate

T403-0556 Screening compound: methyl 3-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine-3-amido)benzoate
T403-0556 Screening compound: methyl 3-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T403-0556
methyl 3-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine-3-amido)benzoate

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

T403-0556

Molecular Formula

C20H20ClN5O3 (C20 H20 ClN5 O3)

Compound Name

methyl 3-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine-3-amido)benzoate

IUPAC name

methyl 3-(1-{6-chloro-[124]triazolo[43-a]pyridin-3-yl}piperidine-3-amido)benzoate

SMILES

COC(c1cccc(NC(C(CCC2)CN2c2nnc(cc3)n2cc3Cl)=O)c1)=O

InChI

InChI=1S/C20H20ClN5O3/c1-29-19(28)13-4-2-6-16(10-13)22-18(27)14-5-3-9-25(11-14)20-24-23-17-8-7-15(21)12-26(17)20/h2,4,6-8,10,12,14H,3,5,9,11H2,1H3,(H,22,27)/t14-/m0/s1

InChI Key

SPHIODQGFLBMCS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27619327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.59

Polar Surface Area

68.933

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

T403-0556 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 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
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Endocrine
  • 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 T403-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T403-0556?
Check Price and Availability of T403-0556, 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 T403-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T403-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T403-0556
  • 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 T403-0556 available by request