D524-2786 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide

D524-2786 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
D524-2786 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D524-2786
N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide

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

D524-2786

Molecular Formula

C28H24FN5O3 (C28 H24 FN5 O3)

Compound Name

N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide

IUPAC name

N-{6-benzyl-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide

SMILES

CC(Nc1nc(N(Cc(cccc2)c2OC)C(c(cc2)ccc2F)=O)nn11)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C28H24FN5O3/c1-18-23(16-19-8-4-3-5-9-19)26(36)34-27(30-18)31-28(32-34)33(17-21-10-6-7-11-24(21)37-2)25(35)20-12-14-22(29)15-13-20/h3-15H,16-17H2,1-2H3,(H,30,31,32)

InChI Key

XHLFKVUPAZSZRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.918

Distribution Coefficient, logD

4.854

Water Solubility, LogSw

-4.70

Polar Surface Area

72.160

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D524-2786 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D524-2786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D524-2786?
Check Price and Availability of D524-2786, 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 D524-2786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D524-2786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D524-2786
  • 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 D524-2786 available by request