2053-0020 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 3-[(4-nitrophenyl)carbamoyl]benzene-1-sulfonate

2053-0020 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 3-[(4-nitrophenyl)carbamoyl]benzene-1-sulfonate
2053-0020 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 3-[(4-nitrophenyl)carbamoyl]benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2053-0020
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 3-[(4-nitrophenyl)carbamoyl]benzene-1-sulfonate

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

2053-0020

Molecular Formula

C26H19N5O6S (C26 H19 N5 O6 S)

Compound Name

2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 3-[(4-nitrophenyl)carbamoyl]benzene-1-sulfonate

IUPAC name

2-(2H-123-benzotriazol-2-yl)-4-methylphenyl 3-[(4-nitrophenyl)carbamoyl]benzene-1-sulfonate

SMILES

Cc(cc1)cc(-n2nc(cccc3)c3n2)c1OS(c1cc(C(Nc(cc2)ccc2[N+]([O-])=O)=O)ccc1)(=O)=O

InChI

InChI=1S/C26H19N5O6S/c1-17-9-14-25(24(15-17)30-28-22-7-2-3-8-23(22)29-30)37-38(35,36)21-6-4-5-18(16-21)26(32)27-19-10-12-20(13-11-19)31(33)34/h2-16H,1H3,(H,27,32)

InChI Key

FLTCKFIQSJPMKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01141526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.50

Polar Surface Area

116.293

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

References: we are preparing a list of scientific research reports with 2053-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2053-0020?
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What is the minimum amount of 2053-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2053-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2053-0020
  • 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 2053-0020 available by request