D433-0923 Screening compound: 2-fluoro-N-(4-methoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide

D433-0923 Screening compound: 2-fluoro-N-(4-methoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide
D433-0923 Screening compound: 2-fluoro-N-(4-methoxyphenyl)-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 D433-0923
2-fluoro-N-(4-methoxyphenyl)-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

D433-0923

Molecular Formula

C21H18FN5O3 (C21 H18 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(CN(C(c(cccc2)c2F)=O)c(cc2)ccc2OC)nn11)=CC1=O

InChI

InChI=1S/C21H18FN5O3/c1-13-11-19(28)27-21(23-13)24-18(25-27)12-26(14-7-9-15(30-2)10-8-14)20(29)16-5-3-4-6-17(16)22/h3-11H,12H2,1-2H3,(H,23,24,25)

InChI Key

XHVXNZGXSLCBMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.565

Distribution Coefficient, logD

-0.088

Water Solubility, LogSw

-3.23

Polar Surface Area

74.890

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D433-0923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0923?
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What is the minimum amount of D433-0923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0923
  • 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 D433-0923 available by request