T632-1305 Screening compound: 4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethoxy)benzoyl]piperidine

T632-1305 Screening compound: 4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethoxy)benzoyl]piperidine
T632-1305 Screening compound: 4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethoxy)benzoyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T632-1305
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethoxy)benzoyl]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

T632-1305

Molecular Formula

C16H17F3N4O2 (C16 H17 F3 N4 O2)

Compound Name

4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethoxy)benzoyl]piperidine

IUPAC name

4-(4-methyl-4H-124-triazol-3-yl)-1-[3-(trifluoromethoxy)benzoyl]piperidine

SMILES

Cn1c(C(CC2)CCN2C(c2cccc(OC(F)(F)F)c2)=O)nnc1

InChI

InChI=1S/C16H17F3N4O2/c1-22-10-20-21-14(22)11-5-7-23(8-6-11)15(24)12-3-2-4-13(9-12)25-16(17,18)19/h2-4,9-11H,5-8H2,1H3

InChI Key

NZBRBPQGSAVJBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.038

Distribution Coefficient, logD

2.038

Water Solubility, LogSw

-2.45

Polar Surface Area

47.736

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

T632-1305 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T632-1305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T632-1305?
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What is the minimum amount of T632-1305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T632-1305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T632-1305
  • 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 T632-1305 available by request