L455-0899 Screening compound: N-(1,3-benzothiazol-2-yl)-1-benzyl-1H-1,2,3-benzotriazole-5-carboxamide

L455-0899 Screening compound: N-(1,3-benzothiazol-2-yl)-1-benzyl-1H-1,2,3-benzotriazole-5-carboxamide
L455-0899 Screening compound: N-(1,3-benzothiazol-2-yl)-1-benzyl-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L455-0899
N-(1,3-benzothiazol-2-yl)-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

L455-0899

Molecular Formula

C21H15N5OS (C21 H15 N5 OS)

Compound Name

N-(1,3-benzothiazol-2-yl)-1-benzyl-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

N-(13-benzothiazol-2-yl)-1-benzyl-1H-123-benzotriazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1n(Cc1ccccc1)nn2)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C21H15N5OS/c27-20(23-21-22-16-8-4-5-9-19(16)28-21)15-10-11-18-17(12-15)24-25-26(18)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23,27)

InChI Key

ZOYCTQSDRAIZNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.45

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

4.266

Distribution Coefficient, logD

4.264

Water Solubility, LogSw

-4.43

Polar Surface Area

58.517

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

L455-0899 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L455-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L455-0899?
Check Price and Availability of L455-0899, 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 L455-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L455-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L455-0899
  • 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 L455-0899 available by request