8011-9797 Screening compound: 2-chloro-5-nitrophenyl 2,3,3,3-tetrafluoro-2-methoxypropanoate

8011-9797 Screening compound: 2-chloro-5-nitrophenyl 2,3,3,3-tetrafluoro-2-methoxypropanoate
8011-9797 Screening compound: 2-chloro-5-nitrophenyl 2,3,3,3-tetrafluoro-2-methoxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9797
2-chloro-5-nitrophenyl 2,3,3,3-tetrafluoro-2-methoxypropanoate

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

8011-9797

Molecular Formula

C10H6ClF4NO5 (C10 H6 ClF4 NO5)

Compound Name

2-chloro-5-nitrophenyl 2,3,3,3-tetrafluoro-2-methoxypropanoate

IUPAC name

2-chloro-5-nitrophenyl 2333-tetrafluoro-2-methoxypropanoate

SMILES

COC(C(F)(F)F)(C(Oc(cc(cc1)[N+]([O-])=O)c1Cl)=O)F

InChI

InChI=1S/C10H6ClF4NO5/c1-20-9(12,10(13,14)15)8(17)21-7-4-5(16(18)19)2-3-6(7)11/h2-4H,1H3/t9-/m0/s1

InChI Key

MSNGATMYWBRSHI-VIFPVBQESA-N

MDL Number (MFCD)

MFCD02933501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.266

Distribution Coefficient, logD

3.266

Water Solubility, LogSw

-3.81

Polar Surface Area

60.988

Acid Dissociation Constant (pKa)

30.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8011-9797 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 8011-9797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9797?
Check Price and Availability of 8011-9797, 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 8011-9797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9797
  • 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 8011-9797 available by request