D684-0356 Screening compound: N,N-dimethyl-4-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

D684-0356 Screening compound: N,N-dimethyl-4-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
D684-0356 Screening compound: N,N-dimethyl-4-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-6-(piperidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0356
N,N-dimethyl-4-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

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

D684-0356

Molecular Formula

C20H26N8OS (C20 H26 N8 OS)

Compound Name

N,N-dimethyl-4-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

IUPAC name

NN-dimethyl-4-{3-[(2-phenoxyethyl)sulfanyl]-1H-124-triazol-1-yl}-6-(piperidin-1-yl)-135-triazin-2-amine

SMILES

CN(C)c1nc(-n(cn2)nc2SCCOc2ccccc2)nc(N2CCCCC2)n1

InChI

InChI=1S/C20H26N8OS/c1-26(2)17-22-18(27-11-7-4-8-12-27)24-19(23-17)28-15-21-20(25-28)30-14-13-29-16-9-5-3-6-10-16/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3

InChI Key

REKLCDGFXXKLDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.072

Distribution Coefficient, logD

5.061

Water Solubility, LogSw

-4.61

Polar Surface Area

62.951

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with D684-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D684-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0356
  • 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 D684-0356 available by request