0896-4695 Screening compound: ETHYL N-(2-CHLORO-5-NITROPHENYL)CARBAMATE

0896-4695 Screening compound: ETHYL N-(2-CHLORO-5-NITROPHENYL)CARBAMATE
0896-4695 Screening compound: ETHYL N-(2-CHLORO-5-NITROPHENYL)CARBAMATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 0896-4695
ETHYL N-(2-CHLORO-5-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

0896-4695

Molecular Formula

C9H9ClN2O4 (C9 H9 ClN2 O4)

Compound Name

ETHYL N-(2-CHLORO-5-NITROPHENYL)CARBAMATE

IUPAC name

n/a

SMILES

CCOC(Nc(cc(cc1)[N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C9H9ClN2O4/c1-2-16-9(13)11-8-5-6(12(14)15)3-4-7(8)10/h3-5H,2H2,1H3,(H,11,13)

InChI Key

LTXOWMPFTGLIHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.675

Distribution Coefficient, logD

2.369

Water Solubility, LogSw

-3.54

Polar Surface Area

64.366

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

0896-4695 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0896-4695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0896-4695?
Check Price and Availability of 0896-4695, 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 0896-4695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0896-4695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0896-4695
  • 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 0896-4695 available by request