D441-0017 Screening compound: N2-methyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine

D441-0017 Screening compound: N2-methyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
D441-0017 Screening compound: N2-methyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D441-0017
N2-methyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-N4-(propan-2-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

D441-0017

Molecular Formula

C17H22N8OS (C17 H22 N8 OS)

Compound Name

N2-methyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-methyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-124-triazol-1-yl}-N4-(propan-2-yl)-135-triazine-24-diamine

SMILES

CC(C)Nc1nc(NC)nc(-n(cn2)nc2SCCOc2ccccc2)n1

InChI

InChI=1S/C17H22N8OS/c1-12(2)20-15-21-14(18-3)22-16(23-15)25-11-19-17(24-25)27-10-9-26-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H2,18,20,21,22,23)

InChI Key

CUKQQQAEBCDEQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.697

Distribution Coefficient, logD

3.680

Water Solubility, LogSw

-3.96

Polar Surface Area

81.245

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with D441-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D441-0017?
Check Price and Availability of D441-0017, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D441-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D441-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D441-0017
  • 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 D441-0017 available by request