0931-0541 Screening compound: N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide

0931-0541 Screening compound: N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
0931-0541 Screening compound: N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0931-0541
N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)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

0931-0541

Molecular Formula

C18H13F3N2O4 (C18 H13 F3 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(CN(C(c1c2cccc1)=O)C2=O)C(C(F)(F)F)=O

InChI

InChI=1S/C18H13F3N2O4/c1-27-12-8-6-11(7-9-12)22(17(26)18(19,20)21)10-23-15(24)13-4-2-3-5-14(13)16(23)25/h2-9H,10H2,1H3

InChI Key

XQTPUFRFNPYKBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00355639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.64

Polar Surface Area

54.351

Acid Dissociation Constant (pKa)

31.44

Base Dissociation Constant (pKb)

-8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 0931-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0931-0541?
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What is the minimum amount of 0931-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0931-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0931-0541
  • 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 0931-0541 available by request