5225-0310 Screening compound: 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5225-0310 Screening compound: 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
5225-0310 Screening compound: 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5225-0310
2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

5225-0310

Molecular Formula

C21H20FN5O3 (C21 H20 FN5 O3)

Compound Name

2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

2-(34-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1nc(-c(cc2)cc(OC)c2OC)nn1C1c(cccc2)c2F)=C1C(N)=O

InChI

InChI=1S/C21H20FN5O3/c1-11-17(19(23)28)18(13-6-4-5-7-14(13)22)27-21(24-11)25-20(26-27)12-8-9-15(29-2)16(10-12)30-3/h4-10,18H,1-3H3,(H2,23,28)(H,24,25,26)/t18-/m0/s1

InChI Key

MRNUVOJSZCCHLN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05899279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.801

Distribution Coefficient, logD

2.801

Water Solubility, LogSw

-3.46

Polar Surface Area

86.097

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

5225-0310 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5225-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-0310?
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What is the minimum amount of 5225-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-0310
  • 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 5225-0310 available by request