8008-1461 Screening compound: 1-({3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperidine-4-carboxamide

8008-1461 Screening compound: 1-({3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperidine-4-carboxamide
8008-1461 Screening compound: 1-({3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1461
1-({3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperidine-4-carboxamide

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

8008-1461

Molecular Formula

C19H27N5O2S (C19 H27 N5 O2 S)

Compound Name

1-({3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperidine-4-carboxamide

IUPAC name

1-({3-[(34-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-45-dihydro-1H-124-triazol-1-yl}methyl)piperidine-4-carboxamide

SMILES

Cc(cc1)c(C)cc1OCC(N1C)=NN(CN(CC2)CCC2C(N)=O)C1=S

InChI

InChI=1S/C19H27N5O2S/c1-13-4-5-16(10-14(13)2)26-11-17-21-24(19(27)22(17)3)12-23-8-6-15(7-9-23)18(20)25/h4-5,10,15H,6-9,11-12H2,1-3H3,(H2,20,25)

InChI Key

AJUIQWILDPXQKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01207059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

-3.050

Water Solubility, LogSw

-2.50

Polar Surface Area

65.716

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

12.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

References: we are preparing a list of scientific research reports with 8008-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8008-1461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1461
  • 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 8008-1461 available by request