D396-0014 Screening compound: 4-methyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)pyrimidin-2-amine

D396-0014 Screening compound: 4-methyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)pyrimidin-2-amine
D396-0014 Screening compound: 4-methyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0014
4-methyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)pyrimidin-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

D396-0014

Molecular Formula

C16H18N6OS (C16 H18 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1OCCSc(nc1)nn1-c1nc(N)nc(C)c1

InChI

InChI=1S/C16H18N6OS/c1-11-3-5-13(6-4-11)23-7-8-24-16-18-10-22(21-16)14-9-12(2)19-15(17)20-14/h3-6,9-10H,7-8H2,1-2H3,(H2,17,19,20)

InChI Key

LSMJJMQEJXYNMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-3.03

Polar Surface Area

68.353

Acid Dissociation Constant (pKa)

20.13

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D396-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0014?
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What is the minimum amount of D396-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0014
  • 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 D396-0014 available by request