D527-0121 Screening compound: 3-{4-ethyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(2-fluorophenyl)propanamide

D527-0121 Screening compound: 3-{4-ethyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(2-fluorophenyl)propanamide
D527-0121 Screening compound: 3-{4-ethyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(2-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D527-0121
3-{4-ethyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(2-fluorophenyl)propanamide

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

D527-0121

Molecular Formula

C23H22FN5O2 (C23 H22 FN5 O2)

Compound Name

3-{4-ethyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(2-fluorophenyl)propanamide

IUPAC name

3-{4-ethyl-5-methyl-7-oxo-2-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-6-yl}-N-(2-fluorophenyl)propanamide

SMILES

CCN(c1nc(-c2ccccc2)nn11)C(C)=C(CCC(Nc(cccc2)c2F)=O)C1=O

InChI

InChI=1S/C23H22FN5O2/c1-3-28-15(2)17(13-14-20(30)25-19-12-8-7-11-18(19)24)22(31)29-23(28)26-21(27-29)16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,25,30)

InChI Key

MDFZCQVGKSVOBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.552

Distribution Coefficient, logD

3.551

Water Solubility, LogSw

-3.57

Polar Surface Area

60.659

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with D527-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D527-0121?
Check Price and Availability of D527-0121, 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 D527-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D527-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D527-0121
  • 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 D527-0121 available by request