8013-2786 Screening compound: 2-(3,4-dimethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid

8013-2786 Screening compound: 2-(3,4-dimethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid
8013-2786 Screening compound: 2-(3,4-dimethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2786
2-(3,4-dimethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid

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

8013-2786

Molecular Formula

C11H11F3O5 (C11 H11 F3 O5)

Compound Name

2-(3,4-dimethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid

IUPAC name

2-(34-dimethoxyphenyl)-333-trifluoro-2-hydroxypropanoic acid

SMILES

COc(ccc(C(C(F)(F)F)(C(O)=O)O)c1)c1OC

InChI

InChI=1S/C11H11F3O5/c1-18-7-4-3-6(5-8(7)19-2)10(17,9(15)16)11(12,13)14/h3-5,17H,1-2H3,(H,15,16)/t10-/m1/s1

InChI Key

KUWBRUFKKOOGQF-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD03764144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.255

Distribution Coefficient, logD

-2.287

Water Solubility, LogSw

-1.89

Polar Surface Area

58.976

Acid Dissociation Constant (pKa)

3.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

8013-2786 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8013-2786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2786?
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What is the minimum amount of 8013-2786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2786
  • 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 8013-2786 available by request