L455-0369 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-1H-1,2,3-benzotriazole-5-carboxamide

L455-0369 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-1H-1,2,3-benzotriazole-5-carboxamide
L455-0369 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L455-0369
N-(2H-1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-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

L455-0369

Molecular Formula

C22H18N4O4 (C22 H18 N4 O4)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-1H-123-benzotriazole-5-carboxamide

SMILES

COc1cccc(Cn2nnc3c2ccc(C(Nc(cc2)cc4c2OCO4)=O)c3)c1

InChI

InChI=1S/C22H18N4O4/c1-28-17-4-2-3-14(9-17)12-26-19-7-5-15(10-18(19)24-25-26)22(27)23-16-6-8-20-21(11-16)30-13-29-20/h2-11H,12-13H2,1H3,(H,23,27)

InChI Key

PNVKLUBINVHDLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

3.284

Water Solubility, LogSw

-3.48

Polar Surface Area

73.415

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L455-0369 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L455-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L455-0369?
Check Price and Availability of L455-0369, 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 L455-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L455-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L455-0369
  • 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 L455-0369 available by request