Y042-7125 Screening compound: 5-oxo-N~3~-[3-(1H-1,2,4-triazol-3-yl)phenyl]-1-(3,4,5-trifluorophenyl)-3-pyrrolidinecarboxamide

Y042-7125 Screening compound: 5-oxo-N~3~-[3-(1H-1,2,4-triazol-3-yl)phenyl]-1-(3,4,5-trifluorophenyl)-3-pyrrolidinecarboxamide
Y042-7125 Screening compound: 5-oxo-N~3~-[3-(1H-1,2,4-triazol-3-yl)phenyl]-1-(3,4,5-trifluorophenyl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7125
5-oxo-N~3~-[3-(1H-1,2,4-triazol-3-yl)phenyl]-1-(3,4,5-trifluorophenyl)-3-pyrrolidinecarboxamide

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

Y042-7125

Molecular Formula

C19H14F3N5O2 (C19 H14 F3 N5 O2)

Compound Name

5-oxo-N~3~-[3-(1H-1,2,4-triazol-3-yl)phenyl]-1-(3,4,5-trifluorophenyl)-3-pyrrolidinecarboxamide

IUPAC name

5-oxo-N-[3-(1H-124-triazol-3-yl)phenyl]-1-(345-trifluorophenyl)pyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c(cc1F)cc(F)c1F)Nc1cc(-c2n[nH]cn2)ccc1

InChI

InChI=1S/C19H14F3N5O2/c20-14-6-13(7-15(21)17(14)22)27-8-11(5-16(27)28)19(29)25-12-3-1-2-10(4-12)18-23-9-24-26-18/h1-4,6-7,9,11H,5,8H2,(H,25,29)(H,23,24,26)/t11-/m1/s1

InChI Key

JKQFYPBBLYUWGW-LLVKDONJSA-N

MDL Number (MFCD)

MFCD28368211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.337

Distribution Coefficient, logD

2.334

Water Solubility, LogSw

-3.08

Polar Surface Area

75.511

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.79

References: we are preparing a list of scientific research reports with Y042-7125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7125?
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What is the minimum amount of Y042-7125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7125
  • 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 Y042-7125 available by request