D524-2591 Screening compound: N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-fluoro-N-[(thiophen-2-yl)methyl]benzamide

D524-2591 Screening compound: N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-fluoro-N-[(thiophen-2-yl)methyl]benzamide
D524-2591 Screening compound: N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-fluoro-N-[(thiophen-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D524-2591
N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-fluoro-N-[(thiophen-2-yl)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

D524-2591

Molecular Formula

C19H16FN5O2S (C19 H16 FN5 O2 S)

Compound Name

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

IUPAC name

N-{56-dimethyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}-2-fluoro-N-[(thiophen-2-yl)methyl]benzamide

SMILES

CC1=C(C)Nc2nc(N(Cc3cccs3)C(c(cccc3)c3F)=O)nn2C1=O

InChI

InChI=1S/C19H16FN5O2S/c1-11-12(2)21-18-22-19(23-25(18)16(11)26)24(10-13-6-5-9-28-13)17(27)14-7-3-4-8-15(14)20/h3-9H,10H2,1-2H3,(H,21,22,23)

InChI Key

AQZKAOSFMCRXNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.313

Distribution Coefficient, logD

2.933

Water Solubility, LogSw

-3.74

Polar Surface Area

65.820

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D524-2591 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D524-2591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D524-2591?
Check Price and Availability of D524-2591, 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 D524-2591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D524-2591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D524-2591
  • 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 D524-2591 available by request