8016-1441 Screening compound: methyl 3,3,3-trifluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyanilino)propanoate

8016-1441 Screening compound: methyl 3,3,3-trifluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyanilino)propanoate
8016-1441 Screening compound: methyl 3,3,3-trifluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyanilino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1441
methyl 3,3,3-trifluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyanilino)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

8016-1441

Molecular Formula

C19H20F3NO6 (C19 H20 F3 NO6)

Compound Name

methyl 3,3,3-trifluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyanilino)propanoate

IUPAC name

methyl 333-trifluoro-2-(4-hydroxy-35-dimethoxyphenyl)-2-[(2-methoxyphenyl)amino]propanoate

SMILES

COC(C(C(F)(F)F)(c(cc1OC)cc(OC)c1O)Nc(cccc1)c1OC)=O

InChI

InChI=1S/C19H20F3NO6/c1-26-13-8-6-5-7-12(13)23-18(17(25)29-4,19(20,21)22)11-9-14(27-2)16(24)15(10-11)28-3/h5-10,23-24H,1-4H3/t18-/m1/s1

InChI Key

HFVNWOHSPMYABY-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01413089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.563

Distribution Coefficient, logD

3.558

Water Solubility, LogSw

-3.65

Polar Surface Area

68.710

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

8016-1441 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-1441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1441?
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What is the minimum amount of 8016-1441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1441
  • 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 8016-1441 available by request