L455-0885 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H-1,2,3-benzotriazole-5-carboxamide

L455-0885 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H-1,2,3-benzotriazole-5-carboxamide
L455-0885 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L455-0885
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H-1,2,3-benzotriazole-5-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

L455-0885

Molecular Formula

C22H18N4O3 (C22 H18 N4 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-benzyl-1H-123-benzotriazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1n(Cc1ccccc1)nn2)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H18N4O3/c27-22(23-12-16-6-9-20-21(10-16)29-14-28-20)17-7-8-19-18(11-17)24-25-26(19)13-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,23,27)

InChI Key

HWWCHRQRDWHOMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.976

Distribution Coefficient, logD

2.976

Water Solubility, LogSw

-3.34

Polar Surface Area

67.193

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with L455-0885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L455-0885?
Check Price and Availability of L455-0885, 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 L455-0885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L455-0885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L455-0885
  • 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 L455-0885 available by request