1755-0003 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide

1755-0003 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
1755-0003 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1755-0003
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide

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

1755-0003

Molecular Formula

C24H16F3N3O5 (C24 H16 F3 N3 O5)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide

SMILES

[O-][N+](c1ccc(CC(C(Nc2cccc(C(F)(F)F)c2)=O)N(C(c2c3cccc2)=O)C3=O)cc1)=O

InChI

InChI=1S/C24H16F3N3O5/c25-24(26,27)15-4-3-5-16(13-15)28-21(31)20(12-14-8-10-17(11-9-14)30(34)35)29-22(32)18-6-1-2-7-19(18)23(29)33/h1-11,13,20H,12H2,(H,28,31)/t20-/m0/s1

InChI Key

WKXLHWLVHMVVQV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01002667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.457

Distribution Coefficient, logD

5.455

Water Solubility, LogSw

-5.98

Polar Surface Area

84.889

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

1755-0003 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1755-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1755-0003?
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What is the minimum amount of 1755-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1755-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1755-0003
  • 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 1755-0003 available by request