2595-1501 Screening compound: N-(2-chlorophenyl)-6-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide

2595-1501 Screening compound: N-(2-chlorophenyl)-6-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide
2595-1501 Screening compound: N-(2-chlorophenyl)-6-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2595-1501
N-(2-chlorophenyl)-6-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide

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

2595-1501

Molecular Formula

C20H18ClN3O5 (C20 H18 ClN3 O5)

Compound Name

N-(2-chlorophenyl)-6-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide

IUPAC name

N-(2-chlorophenyl)-6-(4-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanamide

SMILES

[O-][N+](c1cccc(C(N2CCCCCC(Nc(cccc3)c3Cl)=O)=O)c1C2=O)=O

InChI

InChI=1S/C20H18ClN3O5/c21-14-8-3-4-9-15(14)22-17(25)11-2-1-5-12-23-19(26)13-7-6-10-16(24(28)29)18(13)20(23)27/h3-4,6-10H,1-2,5,11-12H2,(H,22,25)

InChI Key

PIUKYSBDLJDZPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.83

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.159

Distribution Coefficient, logD

2.158

Water Solubility, LogSw

-3.41

Polar Surface Area

85.002

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 2595-1501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2595-1501?
Check Price and Availability of 2595-1501, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2595-1501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2595-1501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2595-1501
  • 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 2595-1501 available by request