2595-1328 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

2595-1328 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
2595-1328 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2595-1328
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

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

2595-1328

Molecular Formula

C19H16ClN3O7 (C19 H16 ClN3 O7)

Compound Name

N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

IUPAC name

N-(4-chloro-25-dimethoxyphenyl)-3-(4-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)propanamide

SMILES

COc(c(NC(CCN(C(c1c2c([N+]([O-])=O)ccc1)=O)C2=O)=O)c1)cc(Cl)c1OC

InChI

InChI=1S/C19H16ClN3O7/c1-29-14-9-12(15(30-2)8-11(14)20)21-16(24)6-7-22-18(25)10-4-3-5-13(23(27)28)17(10)19(22)26/h3-5,8-9H,6-7H2,1-2H3,(H,21,24)

InChI Key

DPUVFXKIZAFJPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02080689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.8

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.640

Distribution Coefficient, logD

1.534

Water Solubility, LogSw

-3.19

Polar Surface Area

100.263

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

2595-1328 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 2595-1328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2595-1328?
Check Price and Availability of 2595-1328, 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 2595-1328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2595-1328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2595-1328
  • 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 2595-1328 available by request