1682-2474 Screening compound: 4-nitrophenyl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

1682-2474 Screening compound: 4-nitrophenyl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate
1682-2474 Screening compound: 4-nitrophenyl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-2474
4-nitrophenyl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

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

1682-2474

Molecular Formula

C20H18N2O6 (C20 H18 N2 O6)

Compound Name

4-nitrophenyl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

IUPAC name

4-nitrophenyl 6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanoate

SMILES

[O-][N+](c(cc1)ccc1OC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C20H18N2O6/c23-18(28-15-11-9-14(10-12-15)22(26)27)8-2-1-5-13-21-19(24)16-6-3-4-7-17(16)20(21)25/h3-4,6-7,9-12H,1-2,5,8,13H2

InChI Key

JERHGQQJIDDSBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00573209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.478

Distribution Coefficient, logD

3.478

Water Solubility, LogSw

-3.79

Polar Surface Area

82.906

Acid Dissociation Constant (pKa)

22.51

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1682-2474 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1682-2474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-2474?
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What is the minimum amount of 1682-2474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-2474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-2474
  • 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 1682-2474 available by request