T404-0168 Screening compound: 3-methyl-1-[4-(5-methyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazino]-1-butanone

T404-0168 Screening compound: 3-methyl-1-[4-(5-methyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazino]-1-butanone
T404-0168 Screening compound: 3-methyl-1-[4-(5-methyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazino]-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-0168
3-methyl-1-[4-(5-methyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazino]-1-butanone

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

T404-0168

Molecular Formula

C16H23N5O (C16 H23 N5 O)

Compound Name

3-methyl-1-[4-(5-methyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazino]-1-butanone

IUPAC name

3-methyl-1-(4-{5-methyl-[124]triazolo[43-a]pyridin-3-yl}piperazin-1-yl)butan-1-one

SMILES

CC(C)CC(N(CC1)CCN1c1nnc2n1c(C)ccc2)=O

InChI

InChI=1S/C16H23N5O/c1-12(2)11-15(22)19-7-9-20(10-8-19)16-18-17-14-6-4-5-13(3)21(14)16/h4-6,12H,7-11H2,1-3H3

InChI Key

MGAOAQDOOANWBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.39

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

1.853

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-1.88

Polar Surface Area

40.686

Acid Dissociation Constant (pKa)

22.83

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

T404-0168 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T404-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-0168?
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What is the minimum amount of T404-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-0168
  • 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 T404-0168 available by request