8013-1473 Screening compound: 2-chloro-5-nitrophenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate

8013-1473 Screening compound: 2-chloro-5-nitrophenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
8013-1473 Screening compound: 2-chloro-5-nitrophenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1473
2-chloro-5-nitrophenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate

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

8013-1473

Molecular Formula

C10H4ClF6NO4 (C10 H4 ClF6 NO4)

Compound Name

2-chloro-5-nitrophenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate

IUPAC name

2-chloro-5-nitrophenyl 333-trifluoro-2-(trifluoromethyl)propanoate

SMILES

[O-][N+](c(cc1)cc(OC(C(C(F)(F)F)C(F)(F)F)=O)c1Cl)=O

InChI

InChI=1S/C10H4ClF6NO4/c11-5-2-1-4(18(20)21)3-6(5)22-8(19)7(9(12,13)14)10(15,16)17/h1-3,7H

InChI Key

BVAGEHVFVCLARS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.906

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-4.48

Polar Surface Area

54.356

Acid Dissociation Constant (pKa)

20.72

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8013-1473 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 8013-1473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1473?
Check Price and Availability of 8013-1473, 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 8013-1473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1473
  • 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 8013-1473 available by request