8007-1732 Screening compound: methyl 2-(3-tert-butyl-4-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate

8007-1732 Screening compound: methyl 2-(3-tert-butyl-4-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
8007-1732 Screening compound: methyl 2-(3-tert-butyl-4-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-1732
methyl 2-(3-tert-butyl-4-hydroxyphenyl)-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

8007-1732

Molecular Formula

C14H17F3O4 (C14 H17 F3 O4)

Compound Name

methyl 2-(3-tert-butyl-4-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate

IUPAC name

methyl 2-(3-tert-butyl-4-hydroxyphenyl)-333-trifluoro-2-hydroxypropanoate

SMILES

CC(C)(C)c(cc(C(C(F)(F)F)(C(OC)=O)O)cc1)c1O

InChI

InChI=1S/C14H17F3O4/c1-12(2,3)9-7-8(5-6-10(9)18)13(20,11(19)21-4)14(15,16)17/h5-7,18,20H,1-4H3/t13-/m1/s1

InChI Key

RHYBIBURDLRRSL-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00839456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-3.65

Polar Surface Area

53.029

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8007-1732 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8007-1732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-1732?
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What is the minimum amount of 8007-1732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-1732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-1732
  • 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 8007-1732 available by request