8007-3077 Screening compound: N-(4-methoxyphenyl)-3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzamide

8007-3077 Screening compound: N-(4-methoxyphenyl)-3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzamide
8007-3077 Screening compound: N-(4-methoxyphenyl)-3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3077
N-(4-methoxyphenyl)-3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)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

8007-3077

Molecular Formula

C22H15N3O6 (C22 H15 N3 O6)

Compound Name

N-(4-methoxyphenyl)-3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzamide

IUPAC name

N-(4-methoxyphenyl)-3-(5-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)benzamide

SMILES

COc(cc1)ccc1NC(c1cccc(N(C(c(cc2)c3cc2[N+]([O-])=O)=O)C3=O)c1)=O

InChI

InChI=1S/C22H15N3O6/c1-31-17-8-5-14(6-9-17)23-20(26)13-3-2-4-15(11-13)24-21(27)18-10-7-16(25(29)30)12-19(18)22(24)28/h2-12H,1H3,(H,23,26)

InChI Key

QRYVRBNIBSCFEC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.615

Distribution Coefficient, logD

3.615

Water Solubility, LogSw

-4.03

Polar Surface Area

92.896

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 8007-3077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3077?
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What is the minimum amount of 8007-3077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3077
  • 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 8007-3077 available by request