8013-8420 Screening compound: methyl 3,3,3-trifluoro-2-[(4-fluorophenyl)formamido]-2-(2-phenylhydrazin-1-yl)propanoate

8013-8420 Screening compound: methyl 3,3,3-trifluoro-2-[(4-fluorophenyl)formamido]-2-(2-phenylhydrazin-1-yl)propanoate
8013-8420 Screening compound: methyl 3,3,3-trifluoro-2-[(4-fluorophenyl)formamido]-2-(2-phenylhydrazin-1-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8420
methyl 3,3,3-trifluoro-2-[(4-fluorophenyl)formamido]-2-(2-phenylhydrazin-1-yl)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

8013-8420

Molecular Formula

C17H15F4N3O3 (C17 H15 F4 N3 O3)

Compound Name

methyl 3,3,3-trifluoro-2-[(4-fluorophenyl)formamido]-2-(2-phenylhydrazin-1-yl)propanoate

IUPAC name

methyl 333-trifluoro-2-[(4-fluorophenyl)formamido]-2-(2-phenylhydrazin-1-yl)propanoate

SMILES

COC(C(C(F)(F)F)(NC(c(cc1)ccc1F)=O)NNc1ccccc1)=O

InChI

InChI=1S/C17H15F4N3O3/c1-27-15(26)16(17(19,20)21,24-23-13-5-3-2-4-6-13)22-14(25)11-7-9-12(18)10-8-11/h2-10,23-24H,1H3,(H,22,25)/t16-/m1/s1

InChI Key

GHKYGLGCLWTXTK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02945075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

1.632

Water Solubility, LogSw

-3.45

Polar Surface Area

68.627

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

8013-8420 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8013-8420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8420?
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What is the minimum amount of 8013-8420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8420
  • 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 8013-8420 available by request