5594-3080 Screening compound: N'-{2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}pyridine-3-carbohydrazide

5594-3080 Screening compound: N'-{2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}pyridine-3-carbohydrazide
5594-3080 Screening compound: N'-{2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}pyridine-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-3080
N'-{2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}pyridine-3-carbohydrazide

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

5594-3080

Molecular Formula

C17H13F3N4O3 (C17 H13 F3 N4 O3)

Compound Name

N'-{2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}pyridine-3-carbohydrazide

IUPAC name

N'-{25-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}pyridine-3-carbohydrazide

SMILES

O=C(c1cnccc1)NNC(CC(N1c2cccc(C(F)(F)F)c2)=O)C1=O

InChI

InChI=1S/C17H13F3N4O3/c18-17(19,20)11-4-1-5-12(7-11)24-14(25)8-13(16(24)27)22-23-15(26)10-3-2-6-21-9-10/h1-7,9,13,22H,8H2,(H,23,26)/t13-/m1/s1

InChI Key

JCWCFHHTOLCZGK-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03190416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.409

Distribution Coefficient, logD

0.409

Water Solubility, LogSw

-1.15

Polar Surface Area

77.210

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 5594-3080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-3080?
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What is the minimum amount of 5594-3080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-3080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-3080
  • 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 5594-3080 available by request