C368-0180 Screening compound: 5-amino-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

C368-0180 Screening compound: 5-amino-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
C368-0180 Screening compound: 5-amino-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0180
5-amino-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-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

C368-0180

Molecular Formula

C21H24N6O4 (C21 H24 N6 O4)

Compound Name

5-amino-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-N-[(2-methoxyphenyl)methyl]-1H-123-triazole-4-carboxamide

SMILES

CCOc(cc1)ccc1NC(Cn1nnc(C(NCc(cccc2)c2OC)=O)c1N)=O

InChI

InChI=1S/C21H24N6O4/c1-3-31-16-10-8-15(9-11-16)24-18(28)13-27-20(22)19(25-26-27)21(29)23-12-14-6-4-5-7-17(14)30-2/h4-11H,3,12-13,22H2,1-2H3,(H,23,29)(H,24,28)

InChI Key

YVIYTBHZOOTNNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.870

Distribution Coefficient, logD

1.870

Water Solubility, LogSw

-2.50

Polar Surface Area

108.513

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C368-0180 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C368-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0180?
Check Price and Availability of C368-0180, 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 C368-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0180
  • 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 C368-0180 available by request