D441-0047 Screening compound: N2,N4-diethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

D441-0047 Screening compound: N2,N4-diethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
D441-0047 Screening compound: N2,N4-diethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D441-0047
N2,N4-diethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

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

D441-0047

Molecular Formula

C18H24N8OS (C18 H24 N8 OS)

Compound Name

N2,N4-diethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2N4-diethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-124-triazol-1-yl)-135-triazine-24-diamine

SMILES

CCNc1nc(-n(cn2)nc2SCCOc2ccc(C)cc2)nc(NCC)n1

InChI

InChI=1S/C18H24N8OS/c1-4-19-15-22-16(20-5-2)24-17(23-15)26-12-21-18(25-26)28-11-10-27-14-8-6-13(3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,19,20,22,23,24)

InChI Key

GMTTWFJWFLTKPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.257

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-4.18

Polar Surface Area

81.372

Acid Dissociation Constant (pKa)

17.83

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with D441-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D441-0047?
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What is the minimum amount of D441-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D441-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D441-0047
  • 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 D441-0047 available by request