8008-5121 Screening compound: 1-(2-methyl-5-nitrobenzenesulfonyl)-1H-1,2,3-benzotriazole

8008-5121 Screening compound: 1-(2-methyl-5-nitrobenzenesulfonyl)-1H-1,2,3-benzotriazole
8008-5121 Screening compound: 1-(2-methyl-5-nitrobenzenesulfonyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5121
1-(2-methyl-5-nitrobenzenesulfonyl)-1H-1,2,3-benzotriazole

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

8008-5121

Molecular Formula

C13H10N4O4S (C13 H10 N4 O4 S)

Compound Name

1-(2-methyl-5-nitrobenzenesulfonyl)-1H-1,2,3-benzotriazole

IUPAC name

1-(2-methyl-5-nitrobenzenesulfonyl)-1H-123-benzotriazole

SMILES

Cc(ccc([N+]([O-])=O)c1)c1S(n1nnc2c1cccc2)(=O)=O

InChI

InChI=1S/C13H10N4O4S/c1-9-6-7-10(17(18)19)8-13(9)22(20,21)16-12-5-3-2-4-11(12)14-15-16/h2-8H,1H3

InChI Key

OLROBSFSQCHSII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01005018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.628

Distribution Coefficient, logD

2.628

Water Solubility, LogSw

-2.91

Polar Surface Area

85.385

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8008-5121 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8008-5121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5121?
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What is the minimum amount of 8008-5121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5121
  • 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 8008-5121 available by request