3966-3008 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

3966-3008 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide
3966-3008 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-3008
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

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

3966-3008

Molecular Formula

C21H17N5O6 (C21 H17 N5 O6)

Compound Name

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

IUPAC name

N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)acetamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(CN(C(c1cccc([N+]([O-])=O)c11)=O)C1=O)=O

InChI

InChI=1S/C21H17N5O6/c1-12-18(21(30)25(23(12)2)13-7-4-3-5-8-13)22-16(27)11-24-19(28)14-9-6-10-15(26(31)32)17(14)20(24)29/h3-10H,11H2,1-2H3,(H,22,27)

InChI Key

HCYZYXRMCGUVGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02233932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.078

Distribution Coefficient, logD

-0.098

Water Solubility, LogSw

-2.28

Polar Surface Area

106.103

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3966-3008 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 3966-3008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-3008?
Check Price and Availability of 3966-3008, 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 3966-3008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-3008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-3008
  • 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 3966-3008 available by request