D441-0010 Screening compound: 2,4-bis(morpholin-4-yl)-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine

D441-0010 Screening compound: 2,4-bis(morpholin-4-yl)-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine
D441-0010 Screening compound: 2,4-bis(morpholin-4-yl)-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D441-0010
2,4-bis(morpholin-4-yl)-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-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

D441-0010

Molecular Formula

C21H26N8O3S (C21 H26 N8 O3 S)

Compound Name

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

IUPAC name

24-bis(morpholin-4-yl)-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-124-triazol-1-yl}-135-triazine

SMILES

C(CSc(nc1)nn1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1)Oc1ccccc1

InChI

InChI=1S/C21H26N8O3S/c1-2-4-17(5-3-1)32-14-15-33-21-22-16-29(26-21)20-24-18(27-6-10-30-11-7-27)23-19(25-20)28-8-12-31-13-9-28/h1-5,16H,6-15H2

InChI Key

YVMUJGZAFMCGSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.56

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

3.843

Distribution Coefficient, logD

3.843

Water Solubility, LogSw

-4.04

Polar Surface Area

79.415

Acid Dissociation Constant (pKa)

18.98

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

D441-0010 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D441-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D441-0010?
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What is the minimum amount of D441-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D441-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D441-0010
  • 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 D441-0010 available by request