D396-0037 Screening compound: 4-methyl-2-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-phenoxypyrimidine

D396-0037 Screening compound: 4-methyl-2-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-phenoxypyrimidine
D396-0037 Screening compound: 4-methyl-2-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-phenoxypyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0037
4-methyl-2-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-phenoxypyrimidine

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

D396-0037

Molecular Formula

C22H21N5O2S (C22 H21 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1OCCSc(nc1)nn1-c1nc(Oc2ccccc2)cc(C)n1

InChI

InChI=1S/C22H21N5O2S/c1-16-8-6-7-11-19(16)28-12-13-30-22-23-15-27(26-22)21-24-17(2)14-20(25-21)29-18-9-4-3-5-10-18/h3-11,14-15H,12-13H2,1-2H3

InChI Key

KCICDEBXFZJUFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.876

Distribution Coefficient, logD

4.875

Water Solubility, LogSw

-4.85

Polar Surface Area

54.086

Acid Dissociation Constant (pKa)

22.55

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with D396-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0037?
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What is the minimum amount of D396-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0037
  • 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 D396-0037 available by request