5697-0838 Screening compound: 2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5697-0838 Screening compound: 2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
5697-0838 Screening compound: 2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5697-0838
2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

5697-0838

Molecular Formula

C23H25N5O3 (C23 H25 N5 O3)

Compound Name

2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-N-phenyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1nc(CCCO)nn1C1c(cc2)ccc2OC)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C23H25N5O3/c1-15-20(22(30)25-17-7-4-3-5-8-17)21(16-10-12-18(31-2)13-11-16)28-23(24-15)26-19(27-28)9-6-14-29/h3-5,7-8,10-13,21,29H,6,9,14H2,1-2H3,(H,25,30)(H,24,26,27)/t21-/m0/s1

InChI Key

OBAFGHPNKQGMRQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03545537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.554

Distribution Coefficient, logD

2.533

Water Solubility, LogSw

-2.79

Polar Surface Area

85.330

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

5697-0838 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5697-0838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5697-0838?
Check Price and Availability of 5697-0838, 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 5697-0838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5697-0838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5697-0838
  • 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 5697-0838 available by request