8015-6488 Screening compound: 4-(1-pyrrolidinylcarbonyl)-1(2H)-phthalazinone

8015-6488 Screening compound: 4-(1-pyrrolidinylcarbonyl)-1(2H)-phthalazinone
8015-6488 Screening compound: 4-(1-pyrrolidinylcarbonyl)-1(2H)-phthalazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6488
4-(1-pyrrolidinylcarbonyl)-1(2H)-phthalazinone

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

8015-6488

Molecular Formula

C13H13N3O2 (C13 H13 N3 O2)

Compound Name

4-(1-pyrrolidinylcarbonyl)-1(2H)-phthalazinone

IUPAC name

4-(pyrrolidine-1-carbonyl)-12-dihydrophthalazin-1-one

SMILES

O=C(C(c1c2cccc1)=NNC2=O)N1CCCC1

InChI

InChI=1S/C13H13N3O2/c17-12-10-6-2-1-5-9(10)11(14-15-12)13(18)16-7-3-4-8-16/h1-2,5-6H,3-4,7-8H2,(H,15,17)

InChI Key

ZLJMUSDYMFOGNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.023

Distribution Coefficient, logD

0.635

Water Solubility, LogSw

-2.14

Polar Surface Area

53.644

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

8015-6488 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 8015-6488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6488?
Check Price and Availability of 8015-6488, 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 8015-6488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6488
  • 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 8015-6488 available by request