0800-0758 Screening compound: (2E)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide

0800-0758 Screening compound: (2E)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
0800-0758 Screening compound: (2E)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-0758
(2E)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide

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

0800-0758

Molecular Formula

C28H25N3O5 (C28 H25 N3 O5)

Compound Name

(2E)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-[4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide

SMILES

Cc(cc1)ccc1N(CCCCN(C(c1c2cccc1)=O)C2=O)C(/C=C/c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C28H25N3O5/c1-20-11-14-22(15-12-20)29(26(32)16-13-21-7-6-8-23(19-21)31(35)36)17-4-5-18-30-27(33)24-9-2-3-10-25(24)28(30)34/h2-3,6-16,19H,4-5,17-18H2,1H3

InChI Key

DWJCQSMAWGSZPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.176

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-4.93

Polar Surface Area

77.925

Acid Dissociation Constant (pKa)

27.21

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

0800-0758 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0800-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-0758?
Check Price and Availability of 0800-0758, 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 0800-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-0758
  • 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 0800-0758 available by request