8013-1893 Screening compound: methyl 2-(2,4-dibutoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate

8013-1893 Screening compound: methyl 2-(2,4-dibutoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
8013-1893 Screening compound: methyl 2-(2,4-dibutoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1893
methyl 2-(2,4-dibutoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate

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

8013-1893

Molecular Formula

C18H25F3O5 (C18 H25 F3 O5)

Compound Name

methyl 2-(2,4-dibutoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate

IUPAC name

methyl 2-(24-dibutoxyphenyl)-333-trifluoro-2-hydroxypropanoate

SMILES

CCCCOc1cc(OCCCC)c(C(C(F)(F)F)(C(OC)=O)O)cc1

InChI

InChI=1S/C18H25F3O5/c1-4-6-10-25-13-8-9-14(15(12-13)26-11-7-5-2)17(23,16(22)24-3)18(19,20)21/h8-9,12,23H,4-7,10-11H2,1-3H3/t17-/m1/s1

InChI Key

QQAOGONVISMCNW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03763630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.083

Distribution Coefficient, logD

5.083

Water Solubility, LogSw

-4.80

Polar Surface Area

51.403

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

References: we are preparing a list of scientific research reports with 8013-1893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1893?
Check Price and Availability of 8013-1893, 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 8013-1893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1893
  • 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 8013-1893 available by request