4358-6042 Screening compound: benzyl 7-[4-(benzyloxy)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

4358-6042 Screening compound: benzyl 7-[4-(benzyloxy)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
4358-6042 Screening compound: benzyl 7-[4-(benzyloxy)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-6042
benzyl 7-[4-(benzyloxy)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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

4358-6042

Molecular Formula

C27H24N4O3 (C27 H24 N4 O3)

Compound Name

benzyl 7-[4-(benzyloxy)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

benzyl 7-[4-(benzyloxy)phenyl]-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CC(Nc1ncnn1C1c(cc2)ccc2OCc2ccccc2)=C1C(OCc1ccccc1)=O

InChI

InChI=1S/C27H24N4O3/c1-19-24(26(32)34-17-21-10-6-3-7-11-21)25(31-27(30-19)28-18-29-31)22-12-14-23(15-13-22)33-16-20-8-4-2-5-9-20/h2-15,18,25H,16-17H2,1H3,(H,28,29,30)/t25-/m0/s1

InChI Key

GFOUPHNAKLZERL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02370467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.918

Distribution Coefficient, logD

4.736

Water Solubility, LogSw

-4.87

Polar Surface Area

66.075

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with 4358-6042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-6042?
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What is the minimum amount of 4358-6042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-6042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-6042
  • 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 4358-6042 available by request