1299-0825 Screening compound: 1-(2-chloroethoxy)-2-nitrobenzene

1299-0825 Screening compound: 1-(2-chloroethoxy)-2-nitrobenzene
1299-0825 Screening compound: 1-(2-chloroethoxy)-2-nitrobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 1299-0825
1-(2-chloroethoxy)-2-nitrobenzene

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

1299-0825

Molecular Formula

C8H8ClNO3 (C8 H8 ClNO3)

Compound Name

1-(2-chloroethoxy)-2-nitrobenzene

IUPAC name

1-(2-chloroethoxy)-2-nitrobenzene

SMILES

[O-][N+](c(cccc1)c1OCCCl)=O

InChI

InChI=1S/C8H8ClNO3/c9-5-6-13-8-4-2-1-3-7(8)10(11)12/h1-4H,5-6H2

InChI Key

KHBLKVSJKHHJJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

201.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.300

Distribution Coefficient, logD

2.300

Water Solubility, LogSw

-2.42

Polar Surface Area

40.823

Acid Dissociation Constant (pKa)

27.19

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1299-0825 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1299-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1299-0825?
Check Price and Availability of 1299-0825, 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 1299-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1299-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1299-0825
  • 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 1299-0825 available by request