0931-0564 Screening compound: N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-iodophenyl)acetamide

0931-0564 Screening compound: N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-iodophenyl)acetamide
0931-0564 Screening compound: N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-iodophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0931-0564
N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-iodophenyl)acetamide

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

0931-0564

Molecular Formula

C17H10F3IN2O3 (C17 H10 F3 IN2 O3)

Compound Name

N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-iodophenyl)acetamide

IUPAC name

N-[(13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl]-222-trifluoro-N-(4-iodophenyl)acetamide

SMILES

O=C(C(F)(F)F)N(CN(C(c1c2cccc1)=O)C2=O)c(cc1)ccc1I

InChI

InChI=1S/C17H10F3IN2O3/c18-17(19,20)16(26)22(11-7-5-10(21)6-8-11)9-23-14(24)12-3-1-2-4-13(12)15(23)25/h1-8H,9H2

InChI Key

LAWPARGTIQMTBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00366756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.505

Distribution Coefficient, logD

4.505

Water Solubility, LogSw

-4.58

Polar Surface Area

46.808

Acid Dissociation Constant (pKa)

31.06

Base Dissociation Constant (pKb)

-9.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

0931-0564 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0931-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0931-0564?
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What is the minimum amount of 0931-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0931-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0931-0564
  • 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 0931-0564 available by request