0466-0260 Screening compound: N-(4-methoxyphenyl)-N-[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]acetamide

0466-0260 Screening compound: N-(4-methoxyphenyl)-N-[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]acetamide
0466-0260 Screening compound: N-(4-methoxyphenyl)-N-[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0466-0260
N-(4-methoxyphenyl)-N-[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]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

0466-0260

Molecular Formula

C18H15N3O6 (C18 H15 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CN(C(c(cc1)c2cc1[N+]([O-])=O)=O)C2=O)c(cc1)ccc1OC)=O

InChI

InChI=1S/C18H15N3O6/c1-11(22)19(12-3-6-14(27-2)7-4-12)10-20-17(23)15-8-5-13(21(25)26)9-16(15)18(20)24/h3-9H,10H2,1-2H3

InChI Key

BPFBIDSPKMXUAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00223507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.454

Distribution Coefficient, logD

2.454

Water Solubility, LogSw

-2.86

Polar Surface Area

88.201

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

0466-0260 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 0466-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0466-0260?
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What is the minimum amount of 0466-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0466-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0466-0260
  • 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 0466-0260 available by request