5228-4256 Screening compound: 3-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol

5228-4256 Screening compound: 3-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol
5228-4256 Screening compound: 3-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-4256
3-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol

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

5228-4256

Molecular Formula

C21H22N4O2 (C21 H22 N4 O2)

Compound Name

3-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol

IUPAC name

3-[7-(4-methoxyphenyl)-5-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]propan-1-ol

SMILES

COc1ccc(C2n3nc(CCCO)nc3NC(c3ccccc3)=C2)cc1

InChI

InChI=1S/C21H22N4O2/c1-27-17-11-9-16(10-12-17)19-14-18(15-6-3-2-4-7-15)22-21-23-20(8-5-13-26)24-25(19)21/h2-4,6-7,9-12,14,19,26H,5,8,13H2,1H3,(H,22,23,24)/t19-/m0/s1

InChI Key

ZFTJLJXOTYHOBP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04440815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.244

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.41

Polar Surface Area

62.849

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

5228-4256 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5228-4256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-4256?
Check Price and Availability of 5228-4256, 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 5228-4256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-4256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-4256
  • 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 5228-4256 available by request