D396-0049 Screening compound: 4-methyl-2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)pyrimidine

D396-0049 Screening compound: 4-methyl-2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)pyrimidine
D396-0049 Screening compound: 4-methyl-2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0049
4-methyl-2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)pyrimidine

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

D396-0049

Molecular Formula

C20H24N6OS (C20 H24 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1OCCSc(nc1)nn1-c1nc(N2CCCC2)cc(C)n1

InChI

InChI=1S/C20H24N6OS/c1-15-5-7-17(8-6-15)27-11-12-28-20-21-14-26(24-20)19-22-16(2)13-18(23-19)25-9-3-4-10-25/h5-8,13-14H,3-4,9-12H2,1-2H3

InChI Key

YQNXLBLJPHCAIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.506

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.27

Polar Surface Area

50.633

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with D396-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0049?
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What is the minimum amount of D396-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0049
  • 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 D396-0049 available by request