Y041-2979 Screening compound: 1-oxo-N-[(pyridin-2-yl)methyl]-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxamide

Y041-2979 Screening compound: 1-oxo-N-[(pyridin-2-yl)methyl]-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxamide
Y041-2979 Screening compound: 1-oxo-N-[(pyridin-2-yl)methyl]-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2979
1-oxo-N-[(pyridin-2-yl)methyl]-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxamide

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

Y041-2979

Molecular Formula

C22H14F3N3O2 (C22 H14 F3 N3 O2)

Compound Name

1-oxo-N-[(pyridin-2-yl)methyl]-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

1-oxo-N-[(pyridin-2-yl)methyl]-2-(345-trifluorophenyl)-12-dihydroisoquinoline-4-carboxamide

SMILES

O=C(C(c1c2cccc1)=CN(c(cc1F)cc(F)c1F)C2=O)NCc1ncccc1

InChI

InChI=1S/C22H14F3N3O2/c23-18-9-14(10-19(24)20(18)25)28-12-17(15-6-1-2-7-16(15)22(28)30)21(29)27-11-13-5-3-4-8-26-13/h1-10,12H,11H2,(H,27,29)

InChI Key

HSUFITSXLDFVAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23137487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.812

Distribution Coefficient, logD

2.812

Water Solubility, LogSw

-3.58

Polar Surface Area

49.711

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

Y041-2979 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-2979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2979?
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What is the minimum amount of Y041-2979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2979
  • 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 Y041-2979 available by request