6069-0587 Screening compound: 5-methyl-7-[4-(propan-2-yl)phenyl]-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

6069-0587 Screening compound: 5-methyl-7-[4-(propan-2-yl)phenyl]-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
6069-0587 Screening compound: 5-methyl-7-[4-(propan-2-yl)phenyl]-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6069-0587
5-methyl-7-[4-(propan-2-yl)phenyl]-N-(pyridin-3-yl)-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

6069-0587

Molecular Formula

C21H22N6O (C21 H22 N6 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(C2n3ncnc3NC(C)=C2C(Nc2cnccc2)=O)cc1

InChI

InChI=1S/C21H22N6O/c1-13(2)15-6-8-16(9-7-15)19-18(14(3)25-21-23-12-24-27(19)21)20(28)26-17-5-4-10-22-11-17/h4-13,19H,1-3H3,(H,26,28)(H,23,24,25)

InChI Key

FLWRSRIBFREAKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03543136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

3.360

Water Solubility, LogSw

-3.24

Polar Surface Area

70.599

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

6069-0587 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 6069-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6069-0587?
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What is the minimum amount of 6069-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6069-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6069-0587
  • 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 6069-0587 available by request