1682-0464 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

1682-0464 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
1682-0464 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-0464
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-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

1682-0464

Molecular Formula

C18H13F3N2O3 (C18 H13 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(C(c1c2cccc1)=O)C2=O)Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C18H13F3N2O3/c19-18(20,21)11-4-3-5-12(10-11)22-15(24)8-9-23-16(25)13-6-1-2-7-14(13)17(23)26/h1-7,10H,8-9H2,(H,22,24)

InChI Key

JZHXNPLVHUSBHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00522650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.309

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.79

Polar Surface Area

52.619

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1682-0464 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1682-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-0464?
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What is the minimum amount of 1682-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-0464
  • 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 1682-0464 available by request