L455-0939 Screening compound: 1-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-1H-1,2,3-benzotriazole-5-carboxamide

L455-0939 Screening compound: 1-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-1H-1,2,3-benzotriazole-5-carboxamide
L455-0939 Screening compound: 1-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L455-0939
1-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-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

L455-0939

Molecular Formula

C22H24N4O (C22 H24 N4 O)

Compound Name

1-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

1-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-1H-123-benzotriazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1n(Cc1ccccc1)nn2)NCCC1=CCCCC1

InChI

InChI=1S/C22H24N4O/c27-22(23-14-13-17-7-3-1-4-8-17)19-11-12-21-20(15-19)24-25-26(21)16-18-9-5-2-6-10-18/h2,5-7,9-12,15H,1,3-4,8,13-14,16H2,(H,23,27)

InChI Key

PSYLHCWFCUJFLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27644677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.367

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-3.60

Polar Surface Area

50.111

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L455-0939 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with L455-0939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L455-0939?
Check Price and Availability of L455-0939, 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 L455-0939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L455-0939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L455-0939
  • 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 L455-0939 available by request