T633-2056 Screening compound: 1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine

T633-2056 Screening compound: 1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine
T633-2056 Screening compound: 1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T633-2056
1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine

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

T633-2056

Molecular Formula

C16H26N6 (C16 H26 N6)

Compound Name

1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine

IUPAC name

1-[(13-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-propyl-4H-124-triazol-3-yl)piperidine

SMILES

CCCn1c(C2CN(Cc3cn(C)nc3C)CCC2)nnc1

InChI

InChI=1S/C16H26N6/c1-4-7-22-12-17-18-16(22)14-6-5-8-21(10-14)11-15-9-20(3)19-13(15)2/h9,12,14H,4-8,10-11H2,1-3H3/t14-/m0/s1

InChI Key

MZPYVEPGYOJZHW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27622764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.698

Distribution Coefficient, logD

-3.513

Water Solubility, LogSw

-0.29

Polar Surface Area

43.401

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

11.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.80

T633-2056 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T633-2056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T633-2056?
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What is the minimum amount of T633-2056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T633-2056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T633-2056
  • 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 T633-2056 available by request