C513-0025 Screening compound: ethyl 1-{[(3-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxylate

C513-0025 Screening compound: ethyl 1-{[(3-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxylate
C513-0025 Screening compound: ethyl 1-{[(3-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C513-0025
ethyl 1-{[(3-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-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

C513-0025

Molecular Formula

C14H16N4O4 (C14 H16 N4 O4)

Compound Name

ethyl 1-{[(3-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxylate

IUPAC name

ethyl 1-{[(3-methoxyphenyl)carbamoyl]methyl}-1H-123-triazole-4-carboxylate

SMILES

CCOC(c1cn(CC(Nc2cc(OC)ccc2)=O)nn1)=O

InChI

InChI=1S/C14H16N4O4/c1-3-22-14(20)12-8-18(17-16-12)9-13(19)15-10-5-4-6-11(7-10)21-2/h4-8H,3,9H2,1-2H3,(H,15,19)

InChI Key

FYVNQLMXUXYLBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.574

Distribution Coefficient, logD

1.574

Water Solubility, LogSw

-2.22

Polar Surface Area

78.198

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C513-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C513-0025?
Check Price and Availability of C513-0025, 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 C513-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C513-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C513-0025
  • 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 C513-0025 available by request