0868-0102 Screening compound: ethyl 4-{3-[(2-nitrophenyl)carbamoyl]benzenesulfonamido}benzoate

0868-0102 Screening compound: ethyl 4-{3-[(2-nitrophenyl)carbamoyl]benzenesulfonamido}benzoate
0868-0102 Screening compound: ethyl 4-{3-[(2-nitrophenyl)carbamoyl]benzenesulfonamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0868-0102
ethyl 4-{3-[(2-nitrophenyl)carbamoyl]benzenesulfonamido}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

0868-0102

Molecular Formula

C22H19N3O7S (C22 H19 N3 O7 S)

Compound Name

ethyl 4-{3-[(2-nitrophenyl)carbamoyl]benzenesulfonamido}benzoate

IUPAC name

ethyl 4-{3-[(2-nitrophenyl)carbamoyl]benzenesulfonamido}benzoate

SMILES

CCOC(c(cc1)ccc1NS(c1cc(C(Nc(cccc2)c2[N+]([O-])=O)=O)ccc1)(=O)=O)=O

InChI

InChI=1S/C22H19N3O7S/c1-2-32-22(27)15-10-12-17(13-11-15)24-33(30,31)18-7-5-6-16(14-18)21(26)23-19-8-3-4-9-20(19)25(28)29/h3-14,24H,2H2,1H3,(H,23,26)

InChI Key

TXZJIHYHBQIRQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00316934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.328

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-4.36

Polar Surface Area

117.116

Acid Dissociation Constant (pKa)

6.85

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0868-0102 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0868-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0868-0102?
Check Price and Availability of 0868-0102, 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 0868-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0868-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0868-0102
  • 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 0868-0102 available by request