D684-0225 Screening compound: N-ethyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

D684-0225 Screening compound: N-ethyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
D684-0225 Screening compound: N-ethyl-4-[3-(methylsulfanyl)-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 D684-0225
N-ethyl-4-[3-(methylsulfanyl)-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

D684-0225

Molecular Formula

C13H20N8S (C13 H20 N8 S)

Compound Name

N-ethyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

IUPAC name

N-ethyl-4-[3-(methylsulfanyl)-1H-124-triazol-1-yl]-6-(piperidin-1-yl)-135-triazin-2-amine

SMILES

CCNc1nc(-n(cn2)nc2SC)nc(N2CCCCC2)n1

InChI

InChI=1S/C13H20N8S/c1-3-14-10-16-11(20-7-5-4-6-8-20)18-12(17-10)21-9-15-13(19-21)22-2/h9H,3-8H2,1-2H3,(H,14,16,17,18)

InChI Key

DQUDRDWDZWENDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.601

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-3.72

Polar Surface Area

65.339

Acid Dissociation Constant (pKa)

17.58

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

References: we are preparing a list of scientific research reports with D684-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D684-0225?
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What is the minimum amount of D684-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0225
  • 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 D684-0225 available by request