Y010-2023 Screening compound: 1-[4-(acetyloxy)butyl]-5-(anilinocarbonyl)-3-phenyl-3H-1,2,3-triazol-1-ium-4-olate

Y010-2023 Screening compound: 1-[4-(acetyloxy)butyl]-5-(anilinocarbonyl)-3-phenyl-3H-1,2,3-triazol-1-ium-4-olate
Y010-2023 Screening compound: 1-[4-(acetyloxy)butyl]-5-(anilinocarbonyl)-3-phenyl-3H-1,2,3-triazol-1-ium-4-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-2023
1-[4-(acetyloxy)butyl]-5-(anilinocarbonyl)-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

Y010-2023

Molecular Formula

C21H22N4O4 (C21 H22 N4 O4)

Compound Name

1-[4-(acetyloxy)butyl]-5-(anilinocarbonyl)-3-phenyl-3H-1,2,3-triazol-1-ium-4-olate

IUPAC name

3-[4-(acetyloxy)butyl]-1-phenyl-4-(phenylcarbamoyl)-1H-123-triazol-3-ium-5-olate

SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-16(26)29-15-9-8-14-24-19(20(27)22-17-10-4-2-5-11-17)21(28)25(23-24)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-15H2,1H3,(H-,22,23,27,28)

InChI Key

IHUJRSYYICBIMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07773671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.659

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-3.01

Polar Surface Area

76.257

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with Y010-2023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-2023?
Check Price and Availability of Y010-2023, 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 Y010-2023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-2023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-2023
  • 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 Y010-2023 available by request