8010-3898 Screening compound: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenol

8010-3898 Screening compound: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenol
8010-3898 Screening compound: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3898
3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenol

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

8010-3898

Molecular Formula

C13H7ClF3NO4 (C13 H7 ClF3 NO4)

Compound Name

3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenol

IUPAC name

3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenol

SMILES

[O-][N+](c(ccc(O)c1)c1Oc(ccc(C(F)(F)F)c1)c1Cl)=O

InChI

InChI=1S/C13H7ClF3NO4/c14-9-5-7(13(15,16)17)1-4-11(9)22-12-6-8(19)2-3-10(12)18(20)21/h1-6,19H

InChI Key

KBDFDHPBOBHNMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

2.184

Water Solubility, LogSw

-4.35

Polar Surface Area

57.857

Acid Dissociation Constant (pKa)

5.62

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8010-3898 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-3898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3898?
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What is the minimum amount of 8010-3898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3898
  • 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 8010-3898 available by request