4596-0218 Screening compound: 3-(4-methylbenzenesulfonamido)propyl N-(4-nitrophenyl)carbamate

4596-0218 Screening compound: 3-(4-methylbenzenesulfonamido)propyl N-(4-nitrophenyl)carbamate
4596-0218 Screening compound: 3-(4-methylbenzenesulfonamido)propyl N-(4-nitrophenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4596-0218
3-(4-methylbenzenesulfonamido)propyl N-(4-nitrophenyl)carbamate

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

4596-0218

Molecular Formula

C17H19N3O6S (C17 H19 N3 O6 S)

Compound Name

3-(4-methylbenzenesulfonamido)propyl N-(4-nitrophenyl)carbamate

IUPAC name

3-(4-methylbenzenesulfonamido)propyl N-(4-nitrophenyl)carbamate

SMILES

Cc(cc1)ccc1S(NCCCOC(Nc(cc1)ccc1[N+]([O-])=O)=O)(=O)=O

InChI

InChI=1S/C17H19N3O6S/c1-13-3-9-16(10-4-13)27(24,25)18-11-2-12-26-17(21)19-14-5-7-15(8-6-14)20(22)23/h3-10,18H,2,11-12H2,1H3,(H,19,21)

InChI Key

YCHLMNACRMXNND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00713740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.881

Water Solubility, LogSw

-3.91

Polar Surface Area

106.958

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4596-0218 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4596-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4596-0218?
Check Price and Availability of 4596-0218, 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 4596-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4596-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4596-0218
  • 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 4596-0218 available by request