T404-2142 Screening compound: 1-(3,4-diethoxybenzoyl)-4-{5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperazine

T404-2142 Screening compound: 1-(3,4-diethoxybenzoyl)-4-{5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperazine
T404-2142 Screening compound: 1-(3,4-diethoxybenzoyl)-4-{5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-2142
1-(3,4-diethoxybenzoyl)-4-{5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperazine

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

T404-2142

Molecular Formula

C22H27N5O3 (C22 H27 N5 O3)

Compound Name

1-(3,4-diethoxybenzoyl)-4-{5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperazine

IUPAC name

1-(34-diethoxybenzoyl)-4-{5-methyl-[124]triazolo[43-a]pyridin-3-yl}piperazine

SMILES

CCOc(ccc(C(N(CC1)CCN1c1nnc2n1c(C)ccc2)=O)c1)c1OCC

InChI

InChI=1S/C22H27N5O3/c1-4-29-18-10-9-17(15-19(18)30-5-2)21(28)25-11-13-26(14-12-25)22-24-23-20-8-6-7-16(3)27(20)22/h6-10,15H,4-5,11-14H2,1-3H3

InChI Key

ZGEMBJPBAFIXNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27619896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.924

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-2.25

Polar Surface Area

55.362

Acid Dissociation Constant (pKa)

22.68

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

T404-2142 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 T404-2142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-2142?
Check Price and Availability of T404-2142, 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 T404-2142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-2142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-2142
  • 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 T404-2142 available by request