D441-0030 Screening compound: 2-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-4,6-bis(morpholin-4-yl)-1,3,5-triazine

D441-0030 Screening compound: 2-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-4,6-bis(morpholin-4-yl)-1,3,5-triazine
D441-0030 Screening compound: 2-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-4,6-bis(morpholin-4-yl)-1,3,5-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D441-0030
2-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-4,6-bis(morpholin-4-yl)-1,3,5-triazine

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

D441-0030

Molecular Formula

C22H28N8O3S (C22 H28 N8 O3 S)

Compound Name

2-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-4,6-bis(morpholin-4-yl)-1,3,5-triazine

IUPAC name

2-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-124-triazol-1-yl)-46-bis(morpholin-4-yl)-135-triazine

SMILES

Cc(cccc1)c1OCCSc(nc1)nn1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1

InChI

InChI=1S/C22H28N8O3S/c1-17-4-2-3-5-18(17)33-14-15-34-22-23-16-30(27-22)21-25-19(28-6-10-31-11-7-28)24-20(26-21)29-8-12-32-13-9-29/h2-5,16H,6-15H2,1H3

InChI Key

WHYNMFJBAOLJMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.282

Distribution Coefficient, logD

4.282

Water Solubility, LogSw

-4.37

Polar Surface Area

79.502

Acid Dissociation Constant (pKa)

18.98

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D441-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D441-0030?
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What is the minimum amount of D441-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D441-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D441-0030
  • 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 D441-0030 available by request