0627-0160 Screening compound: 2-(2-methylphenoxy)-N-[4-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]acetamide

0627-0160 Screening compound: 2-(2-methylphenoxy)-N-[4-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]acetamide
0627-0160 Screening compound: 2-(2-methylphenoxy)-N-[4-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0160
2-(2-methylphenoxy)-N-[4-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]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

0627-0160

Molecular Formula

C23H17N3O6 (C23 H17 N3 O6)

Compound Name

2-(2-methylphenoxy)-N-[4-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]acetamide

IUPAC name

2-(2-methylphenoxy)-N-[4-(5-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)phenyl]acetamide

SMILES

Cc(cccc1)c1OCC(Nc(cc1)ccc1N(C(c(cc1)c2cc1[N+]([O-])=O)=O)C2=O)=O

InChI

InChI=1S/C23H17N3O6/c1-14-4-2-3-5-20(14)32-13-21(27)24-15-6-8-16(9-7-15)25-22(28)18-11-10-17(26(30)31)12-19(18)23(25)29/h2-12H,13H2,1H3,(H,24,27)

InChI Key

UBHAMFIFXAXKIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00632552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.028

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-4.33

Polar Surface Area

92.725

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 0627-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0160?
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What is the minimum amount of 0627-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0160
  • 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 0627-0160 available by request