6434-3801 Screening compound: 2-[4-(3-nitrophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-propylacetamide

6434-3801 Screening compound: 2-[4-(3-nitrophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-propylacetamide
6434-3801 Screening compound: 2-[4-(3-nitrophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6434-3801
2-[4-(3-nitrophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-propylacetamide

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

6434-3801

Molecular Formula

C19H18N4O4 (C19 H18 N4 O4)

Compound Name

2-[4-(3-nitrophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-propylacetamide

IUPAC name

2-[4-(3-nitrophenyl)-1-oxo-12-dihydrophthalazin-2-yl]-N-propylacetamide

SMILES

CCCNC(CN1N=C(c2cccc([N+]([O-])=O)c2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C19H18N4O4/c1-2-10-20-17(24)12-22-19(25)16-9-4-3-8-15(16)18(21-22)13-6-5-7-14(11-13)23(26)27/h3-9,11H,2,10,12H2,1H3,(H,20,24)

InChI Key

DLWWQNCETLSUFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05696298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.292

Distribution Coefficient, logD

2.292

Water Solubility, LogSw

-3.15

Polar Surface Area

85.161

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

6434-3801 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 6434-3801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6434-3801?
Check Price and Availability of 6434-3801, 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 6434-3801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6434-3801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6434-3801
  • 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 6434-3801 available by request