D441-0007 Screening compound: N-methyl-4-(morpholin-4-yl)-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazin-2-amine

D441-0007 Screening compound: N-methyl-4-(morpholin-4-yl)-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazin-2-amine
D441-0007 Screening compound: N-methyl-4-(morpholin-4-yl)-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D441-0007
N-methyl-4-(morpholin-4-yl)-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-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

D441-0007

Molecular Formula

C18H22N8O2S (C18 H22 N8 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CNc1nc(-n(cn2)nc2SCCOc2ccccc2)nc(N2CCOCC2)n1

InChI

InChI=1S/C18H22N8O2S/c1-19-15-21-16(25-7-9-27-10-8-25)23-17(22-15)26-13-20-18(24-26)29-12-11-28-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,19,21,22,23)

InChI Key

KNUQEXQQZZLAMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08749719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.49

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

3.293

Distribution Coefficient, logD

3.291

Water Solubility, LogSw

-3.45

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

38.90

References: we are preparing a list of scientific research reports with D441-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D441-0007?
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What is the minimum amount of D441-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D441-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D441-0007
  • 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 D441-0007 available by request