8013-2793 Screening compound: methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2,3-dimethylphenyl)propanoate

8013-2793 Screening compound: methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2,3-dimethylphenyl)propanoate
8013-2793 Screening compound: methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2,3-dimethylphenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2793
methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2,3-dimethylphenyl)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

8013-2793

Molecular Formula

C12H13F3O4 (C12 H13 F3 O4)

Compound Name

methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2,3-dimethylphenyl)propanoate

IUPAC name

methyl 333-trifluoro-2-hydroxy-2-(4-hydroxy-23-dimethylphenyl)propanoate

SMILES

Cc1c(C(C(F)(F)F)(C(OC)=O)O)ccc(O)c1C

InChI

InChI=1S/C12H13F3O4/c1-6-7(2)9(16)5-4-8(6)11(18,10(17)19-3)12(13,14)15/h4-5,16,18H,1-3H3/t11-/m1/s1

InChI Key

RRVRXQKGAFMHTF-LLVKDONJSA-N

MDL Number (MFCD)

MFCD03764151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.346

Distribution Coefficient, logD

2.346

Water Solubility, LogSw

-2.42

Polar Surface Area

53.029

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 8013-2793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2793?
Check Price and Availability of 8013-2793, 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 8013-2793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2793
  • 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 8013-2793 available by request