4593-6092 Screening compound: methyl 7-(2,5-dimethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

4593-6092 Screening compound: methyl 7-(2,5-dimethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
4593-6092 Screening compound: methyl 7-(2,5-dimethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-6092
methyl 7-(2,5-dimethoxyphenyl)-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

4593-6092

Molecular Formula

C16H18N4O4 (C16 H18 N4 O4)

Compound Name

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

IUPAC name

methyl 7-(25-dimethoxyphenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CC(Nc1ncnn1C1c(cc(cc2)OC)c2OC)=C1C(OC)=O

InChI

InChI=1S/C16H18N4O4/c1-9-13(15(21)24-4)14(20-16(19-9)17-8-18-20)11-7-10(22-2)5-6-12(11)23-3/h5-8,14H,1-4H3,(H,17,18,19)/t14-/m0/s1

InChI Key

QQCUKGKDTSQWCP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02129950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

1.881

Water Solubility, LogSw

-2.99

Polar Surface Area

74.338

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 4593-6092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-6092?
Check Price and Availability of 4593-6092, 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 4593-6092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-6092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-6092
  • 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 4593-6092 available by request