D433-2797 Screening compound: N-(2-ethoxyphenyl)-4-fluoro-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide

D433-2797 Screening compound: N-(2-ethoxyphenyl)-4-fluoro-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide
D433-2797 Screening compound: N-(2-ethoxyphenyl)-4-fluoro-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-2797
N-(2-ethoxyphenyl)-4-fluoro-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-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

D433-2797

Molecular Formula

C22H20FN5O3 (C22 H20 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1N(Cc(nc1NC(C)=C2)nn1C2=O)C(c(cc1)ccc1F)=O

InChI

InChI=1S/C22H20FN5O3/c1-3-31-18-7-5-4-6-17(18)27(21(30)15-8-10-16(23)11-9-15)13-19-25-22-24-14(2)12-20(29)28(22)26-19/h4-12H,3,13H2,1-2H3,(H,24,25,26)

InChI Key

AMDJNEGMWPLBEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.700

Distribution Coefficient, logD

0.047

Water Solubility, LogSw

-3.20

Polar Surface Area

74.256

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with D433-2797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-2797?
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What is the minimum amount of D433-2797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-2797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-2797
  • 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 D433-2797 available by request