D396-0030 Screening compound: 4-methyl-6-phenoxy-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidine

D396-0030 Screening compound: 4-methyl-6-phenoxy-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidine
D396-0030 Screening compound: 4-methyl-6-phenoxy-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0030
4-methyl-6-phenoxy-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-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

D396-0030

Molecular Formula

C21H19N5O2S (C21 H19 N5 O2 S)

Compound Name

4-methyl-6-phenoxy-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidine

IUPAC name

4-methyl-6-phenoxy-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-124-triazol-1-yl}pyrimidine

SMILES

Cc1nc(-n(cn2)nc2SCCOc2ccccc2)nc(Oc2ccccc2)c1

InChI

InChI=1S/C21H19N5O2S/c1-16-14-19(28-18-10-6-3-7-11-18)24-20(23-16)26-15-22-21(25-26)29-13-12-27-17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3

InChI Key

CTRPAABWYVVSAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

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

4.436

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.46

Polar Surface Area

53.999

Acid Dissociation Constant (pKa)

22.55

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D396-0030 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D396-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0030?
Check Price and Availability of D396-0030, 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 D396-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0030
  • 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 D396-0030 available by request