L455-0629 Screening compound: 1-(4-methylbenzyl)-N~5~-(1,3-thiazol-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide

L455-0629 Screening compound: 1-(4-methylbenzyl)-N~5~-(1,3-thiazol-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide
L455-0629 Screening compound: 1-(4-methylbenzyl)-N~5~-(1,3-thiazol-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L455-0629
1-(4-methylbenzyl)-N~5~-(1,3-thiazol-2-yl)-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

L455-0629

Molecular Formula

C18H15N5OS (C18 H15 N5 OS)

Compound Name

1-(4-methylbenzyl)-N~5~-(1,3-thiazol-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

n/a

SMILES

Cc1ccc(Cn2nnc3c2ccc(C(Nc2nccs2)=O)c3)cc1

InChI

InChI=1S/C18H15N5OS/c1-12-2-4-13(5-3-12)11-23-16-7-6-14(10-15(16)21-22-23)17(24)20-18-19-8-9-25-18/h2-10H,11H2,1H3,(H,19,20,24)

InChI Key

ZARWEJZIFXUUEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.086

Distribution Coefficient, logD

3.062

Water Solubility, LogSw

-3.29

Polar Surface Area

59.234

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

L455-0629 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with L455-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L455-0629?
Check Price and Availability of L455-0629, 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 L455-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L455-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L455-0629
  • 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 L455-0629 available by request