8007-4664 Screening compound: methyl 3,3,3-trifluoro-2-{4-[(2-furylcarbonyl)(methyl)amino]phenyl}-2-hydroxypropanoate

8007-4664 Screening compound: methyl 3,3,3-trifluoro-2-{4-[(2-furylcarbonyl)(methyl)amino]phenyl}-2-hydroxypropanoate
8007-4664 Screening compound: methyl 3,3,3-trifluoro-2-{4-[(2-furylcarbonyl)(methyl)amino]phenyl}-2-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4664
methyl 3,3,3-trifluoro-2-{4-[(2-furylcarbonyl)(methyl)amino]phenyl}-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

8007-4664

Molecular Formula

C16H14F3NO5 (C16 H14 F3 NO5)

Compound Name

methyl 3,3,3-trifluoro-2-{4-[(2-furylcarbonyl)(methyl)amino]phenyl}-2-hydroxypropanoate

IUPAC name

methyl 333-trifluoro-2-hydroxy-2-[4-(N-methylfuran-2-amido)phenyl]propanoate

SMILES

CN(C(c1ccco1)=O)c1ccc(C(C(F)(F)F)(C(OC)=O)O)cc1

InChI

InChI=1S/C16H14F3NO5/c1-20(13(21)12-4-3-9-25-12)11-7-5-10(6-8-11)15(23,14(22)24-2)16(17,18)19/h3-9,23H,1-2H3/t15-/m1/s1

InChI Key

FRBNLYWPQRQFRP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00850273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.787

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-1.89

Polar Surface Area

60.428

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8007-4664 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8007-4664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4664?
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What is the minimum amount of 8007-4664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4664
  • 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 8007-4664 available by request