3909-9178 Screening compound: 2-(2,4-difluorophenyl)-N-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide

3909-9178 Screening compound: 2-(2,4-difluorophenyl)-N-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide
3909-9178 Screening compound: 2-(2,4-difluorophenyl)-N-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-9178
2-(2,4-difluorophenyl)-N-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-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

3909-9178

Molecular Formula

C26H22F2N2O2 (C26 H22 F2 N2 O2)

Compound Name

2-(2,4-difluorophenyl)-N-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

2-(24-difluorophenyl)-N-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-12-dihydroisoquinoline-4-carboxamide

SMILES

CC(C)c(cc1)ccc1N(C)C(C(c1c2cccc1)=CN(c(ccc(F)c1)c1F)C2=O)=O

InChI

InChI=1S/C26H22F2N2O2/c1-16(2)17-8-11-19(12-9-17)29(3)25(31)22-15-30(24-13-10-18(27)14-23(24)28)26(32)21-7-5-4-6-20(21)22/h4-16H,1-3H3

InChI Key

XCXYYABQPMBXAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.431

Distribution Coefficient, logD

4.431

Water Solubility, LogSw

-4.43

Polar Surface Area

30.823

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

3909-9178 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3909-9178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-9178?
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What is the minimum amount of 3909-9178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-9178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-9178
  • 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 3909-9178 available by request