6069-2529 Screening compound: 7-[4-(benzyloxy)phenyl]-2-(3-hydroxypropyl)-5-methyl-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

6069-2529 Screening compound: 7-[4-(benzyloxy)phenyl]-2-(3-hydroxypropyl)-5-methyl-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
6069-2529 Screening compound: 7-[4-(benzyloxy)phenyl]-2-(3-hydroxypropyl)-5-methyl-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 6069-2529
7-[4-(benzyloxy)phenyl]-2-(3-hydroxypropyl)-5-methyl-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

6069-2529

Molecular Formula

C28H28N6O3 (C28 H28 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(CCCO)nn1C1c(cc2)ccc2OCc2ccccc2)=C1C(Nc1cnccc1)=O

InChI

InChI=1S/C28H28N6O3/c1-19-25(27(36)31-22-9-5-15-29-17-22)26(34-28(30-19)32-24(33-34)10-6-16-35)21-11-13-23(14-12-21)37-18-20-7-3-2-4-8-20/h2-5,7-9,11-15,17,26,35H,6,10,16,18H2,1H3,(H,31,36)(H,30,32,33)/t26-/m0/s1

InChI Key

UQZCICHYJUXHOU-SANMLTNESA-N

MDL Number (MFCD)

MFCD03545786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-2.94

Polar Surface Area

94.532

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 6069-2529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6069-2529?
Check Price and Availability of 6069-2529, 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 6069-2529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6069-2529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6069-2529
  • 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 6069-2529 available by request