C368-0054 Screening compound: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-{[(2-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

C368-0054 Screening compound: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-{[(2-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
C368-0054 Screening compound: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-{[(2-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0054
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-{[(2-methoxyphenyl)carbamoyl]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

C368-0054

Molecular Formula

C22H26N6O5 (C22 H26 N6 O5)

Compound Name

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

IUPAC name

5-amino-N-[2-(34-dimethoxyphenyl)ethyl]-1-{[(2-methoxyphenyl)carbamoyl]methyl}-1H-123-triazole-4-carboxamide

SMILES

COc(cccc1)c1NC(Cn1nnc(C(NCCc(cc2)cc(OC)c2OC)=O)c1N)=O

InChI

InChI=1S/C22H26N6O5/c1-31-16-7-5-4-6-15(16)25-19(29)13-28-21(23)20(26-27-28)22(30)24-11-10-14-8-9-17(32-2)18(12-14)33-3/h4-9,12H,10-11,13,23H2,1-3H3,(H,24,30)(H,25,29)

InChI Key

MSYHLOLMXPXUQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.484

Distribution Coefficient, logD

0.484

Water Solubility, LogSw

-2.19

Polar Surface Area

115.794

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C368-0054 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C368-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0054?
Check Price and Availability of C368-0054, 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 C368-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0054
  • 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 C368-0054 available by request