1106-1165 Screening compound: ethyl N-(3-nitrobenzenesulfonyl)carbamate

1106-1165 Screening compound: ethyl N-(3-nitrobenzenesulfonyl)carbamate
1106-1165 Screening compound: ethyl N-(3-nitrobenzenesulfonyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1106-1165
ethyl N-(3-nitrobenzenesulfonyl)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

1106-1165

Molecular Formula

C9H10N2O6S (C9 H10 N2 O6 S)

Compound Name

ethyl N-(3-nitrobenzenesulfonyl)carbamate

IUPAC name

ethyl N-(3-nitrobenzenesulfonyl)carbamate

SMILES

CCOC(NS(c1cc([N+]([O-])=O)ccc1)(=O)=O)=O

InChI

InChI=1S/C9H10N2O6S/c1-2-17-9(12)10-18(15,16)8-5-3-4-7(6-8)11(13)14/h3-6H,2H2,1H3,(H,10,12)

InChI Key

SLZGNLCNDUCQFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00446714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.25

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.135

Distribution Coefficient, logD

-4.336

Water Solubility, LogSw

-2.55

Polar Surface Area

96.801

Acid Dissociation Constant (pKa)

1.93

Base Dissociation Constant (pKb)

-15.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

1106-1165 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 1106-1165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1106-1165?
Check Price and Availability of 1106-1165, 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 1106-1165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1106-1165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1106-1165
  • 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 1106-1165 available by request