0627-0312 Screening compound: N-(4-fluorophenyl)-N-[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzamide

0627-0312 Screening compound: N-(4-fluorophenyl)-N-[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzamide
0627-0312 Screening compound: N-(4-fluorophenyl)-N-[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0312
N-(4-fluorophenyl)-N-[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzamide

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

0627-0312

Molecular Formula

C22H14FN3O5 (C22 H14 FN3 O5)

Compound Name

N-(4-fluorophenyl)-N-[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzamide

IUPAC name

N-(4-fluorophenyl)-N-[(5-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl]benzamide

SMILES

[O-][N+](c(cc1)cc(C(N2CN(C(c3ccccc3)=O)c(cc3)ccc3F)=O)c1C2=O)=O

InChI

InChI=1S/C22H14FN3O5/c23-15-6-8-16(9-7-15)24(20(27)14-4-2-1-3-5-14)13-25-21(28)18-11-10-17(26(30)31)12-19(18)22(25)29/h1-12H,13H2

InChI Key

PEUPWSWCZKEXNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00331310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

3.926

Water Solubility, LogSw

-4.14

Polar Surface Area

79.918

Acid Dissociation Constant (pKa)

30.06

Base Dissociation Constant (pKb)

-7.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 0627-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0312?
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What is the minimum amount of 0627-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0312
  • 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 0627-0312 available by request