5989-3681 Screening compound: 3-(3-nitrobenzenesulfonamido)propyl N-(3-chlorophenyl)carbamate

5989-3681 Screening compound: 3-(3-nitrobenzenesulfonamido)propyl N-(3-chlorophenyl)carbamate
5989-3681 Screening compound: 3-(3-nitrobenzenesulfonamido)propyl N-(3-chlorophenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-3681
3-(3-nitrobenzenesulfonamido)propyl N-(3-chlorophenyl)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

5989-3681

Molecular Formula

C16H16ClN3O6S (C16 H16 ClN3 O6 S)

Compound Name

3-(3-nitrobenzenesulfonamido)propyl N-(3-chlorophenyl)carbamate

IUPAC name

3-(3-nitrobenzenesulfonamido)propyl N-(3-chlorophenyl)carbamate

SMILES

[O-][N+](c1cccc(S(NCCCOC(Nc2cccc(Cl)c2)=O)(=O)=O)c1)=O

InChI

InChI=1S/C16H16ClN3O6S/c17-12-4-1-5-13(10-12)19-16(21)26-9-3-8-18-27(24,25)15-7-2-6-14(11-15)20(22)23/h1-2,4-7,10-11,18H,3,8-9H2,(H,19,21)

InChI Key

NDRLMVUMBUIIBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00367683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.84

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

4.061

Distribution Coefficient, logD

4.060

Water Solubility, LogSw

-4.28

Polar Surface Area

106.958

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

5989-3681 in Drug Discovery

Included in Screening Libraries

Human Phosphatases Annotated Library (206 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5989-3681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-3681?
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What is the minimum amount of 5989-3681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-3681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-3681
  • 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 5989-3681 available by request