2053-0082 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 2-chloro-5-(diethylsulfamoyl)benzoate

2053-0082 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 2-chloro-5-(diethylsulfamoyl)benzoate
2053-0082 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 2-chloro-5-(diethylsulfamoyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2053-0082
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 2-chloro-5-(diethylsulfamoyl)benzoate

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

2053-0082

Molecular Formula

C24H23ClN4O4S (C24 H23 ClN4 O4 S)

Compound Name

2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 2-chloro-5-(diethylsulfamoyl)benzoate

IUPAC name

2-(2H-123-benzotriazol-2-yl)-4-methylphenyl 2-chloro-5-(diethylsulfamoyl)benzoate

SMILES

CCN(CC)S(c(cc1)cc(C(Oc(ccc(C)c2)c2-n2nc(cccc3)c3n2)=O)c1Cl)(=O)=O

InChI

InChI=1S/C24H23ClN4O4S/c1-4-28(5-2)34(31,32)17-11-12-19(25)18(15-17)24(30)33-23-13-10-16(3)14-22(23)29-26-20-8-6-7-9-21(20)27-29/h6-15H,4-5H2,1-3H3

InChI Key

LQMFPLMUVJYUSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01141532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.843

Distribution Coefficient, logD

5.843

Water Solubility, LogSw

-5.94

Polar Surface Area

75.533

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

2053-0082 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Digestive system
  • Nervous system
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2053-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2053-0082?
Check Price and Availability of 2053-0082, 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 2053-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2053-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2053-0082
  • 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 2053-0082 available by request