4660-0394 Screening compound: 1-(4-methyl-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

4660-0394 Screening compound: 1-(4-methyl-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
4660-0394 Screening compound: 1-(4-methyl-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4660-0394
1-(4-methyl-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

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

4660-0394

Molecular Formula

C11H8N2O4 (C11 H8 N2 O4)

Compound Name

1-(4-methyl-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

1-(4-methyl-2-nitrophenyl)-25-dihydro-1H-pyrrole-25-dione

SMILES

Cc(cc1)cc([N+]([O-])=O)c1N(C(C=C1)=O)C1=O

InChI

InChI=1S/C11H8N2O4/c1-7-2-3-8(9(6-7)13(16)17)12-10(14)4-5-11(12)15/h2-6H,1H3

InChI Key

BHSSXQLSMUDQIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00525926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.507

Distribution Coefficient, logD

1.507

Water Solubility, LogSw

-1.93

Polar Surface Area

62.487

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4660-0394 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4660-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4660-0394?
Check Price and Availability of 4660-0394, 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 4660-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4660-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4660-0394
  • 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 4660-0394 available by request