D396-0028 Screening compound: 4-(6-methyl-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidin-4-yl)morpholine

D396-0028 Screening compound: 4-(6-methyl-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidin-4-yl)morpholine
D396-0028 Screening compound: 4-(6-methyl-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidin-4-yl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0028
4-(6-methyl-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidin-4-yl)morpholine

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

D396-0028

Molecular Formula

C19H22N6O2S (C19 H22 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(-n(cn2)nc2SCCOc2ccccc2)nc(N2CCOCC2)c1

InChI

InChI=1S/C19H22N6O2S/c1-15-13-17(24-7-9-26-10-8-24)22-18(21-15)25-14-20-19(23-25)28-12-11-27-16-5-3-2-4-6-16/h2-6,13-14H,7-12H2,1H3

InChI Key

MWXBWAVMIUPCKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.331

Distribution Coefficient, logD

3.260

Water Solubility, LogSw

-3.45

Polar Surface Area

58.175

Acid Dissociation Constant (pKa)

22.55

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D396-0028 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D396-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0028?
Check Price and Availability of D396-0028, 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 D396-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0028
  • 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 D396-0028 available by request