Y010-2029 Screening compound: 5-(anilinocarbonyl)-1-(3-ethoxy-3-oxopropyl)-3-phenyl-3H-1,2,3-triazol-1-ium-4-olate

Y010-2029 Screening compound: 5-(anilinocarbonyl)-1-(3-ethoxy-3-oxopropyl)-3-phenyl-3H-1,2,3-triazol-1-ium-4-olate
Y010-2029 Screening compound: 5-(anilinocarbonyl)-1-(3-ethoxy-3-oxopropyl)-3-phenyl-3H-1,2,3-triazol-1-ium-4-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-2029
5-(anilinocarbonyl)-1-(3-ethoxy-3-oxopropyl)-3-phenyl-3H-1,2,3-triazol-1-ium-4-olate

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

Y010-2029

Molecular Formula

C20H20N4O4 (C20 H20 N4 O4)

Compound Name

5-(anilinocarbonyl)-1-(3-ethoxy-3-oxopropyl)-3-phenyl-3H-1,2,3-triazol-1-ium-4-olate

IUPAC name

3-(3-ethoxy-3-oxopropyl)-1-phenyl-4-(phenylcarbamoyl)-1H-123-triazol-3-ium-5-olate

SMILES

CCOC(CC[n+](c(C(Nc1ccccc1)=O)c1[O-])nn1-c1ccccc1)=O

InChI

InChI=1S/C20H20N4O4/c1-2-28-17(25)13-14-23-18(19(26)21-15-9-5-3-6-10-15)20(27)24(22-23)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H-,21,22,26,27)

InChI Key

OYEIKACJDFVSFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07773819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.521

Distribution Coefficient, logD

2.521

Water Solubility, LogSw

-2.70

Polar Surface Area

75.267

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y010-2029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-2029?
Check Price and Availability of Y010-2029, 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 Y010-2029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-2029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-2029
  • 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 Y010-2029 available by request