D441-0046 Screening compound: N-methyl-4-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

D441-0046 Screening compound: N-methyl-4-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
D441-0046 Screening compound: N-methyl-4-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D441-0046
N-methyl-4-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(morpholin-4-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

D441-0046

Molecular Formula

C19H24N8O2S (C19 H24 N8 O2 S)

Compound Name

N-methyl-4-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

IUPAC name

N-methyl-4-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-124-triazol-1-yl)-6-(morpholin-4-yl)-135-triazin-2-amine

SMILES

Cc(cc1)ccc1OCCSc(nc1)nn1-c1nc(N2CCOCC2)nc(NC)n1

InChI

InChI=1S/C19H24N8O2S/c1-14-3-5-15(6-4-14)29-11-12-30-19-21-13-27(25-19)18-23-16(20-2)22-17(24-18)26-7-9-28-10-8-26/h3-6,13H,7-12H2,1-2H3,(H,20,22,23,24)

InChI Key

CNWJNUNBJDCYLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.745

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-3.87

Polar Surface Area

80.918

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

D441-0046 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D441-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D441-0046?
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What is the minimum amount of D441-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D441-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D441-0046
  • 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 D441-0046 available by request