5498-2720 Screening compound: 2-METHYL-4-[4-METHYL-3-(PIPERIDINOSULFONYL)PHENYL]-1(2H)-PHTHALAZINONE

5498-2720 Screening compound: 2-METHYL-4-[4-METHYL-3-(PIPERIDINOSULFONYL)PHENYL]-1(2H)-PHTHALAZINONE
5498-2720 Screening compound: 2-METHYL-4-[4-METHYL-3-(PIPERIDINOSULFONYL)PHENYL]-1(2H)-PHTHALAZINONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2720
2-METHYL-4-[4-METHYL-3-(PIPERIDINOSULFONYL)PHENYL]-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

5498-2720

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

2-METHYL-4-[4-METHYL-3-(PIPERIDINOSULFONYL)PHENYL]-1(2H)-PHTHALAZINONE

IUPAC name

2-methyl-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-12-dihydrophthalazin-1-one

SMILES

Cc(ccc(C(c1c2cccc1)=NN(C)C2=O)c1)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C21H23N3O3S/c1-15-10-11-16(14-19(15)28(26,27)24-12-6-3-7-13-24)20-17-8-4-5-9-18(17)21(25)23(2)22-20/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3

InChI Key

AGVVSMJUSMSCBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03662892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.222

Distribution Coefficient, logD

3.222

Water Solubility, LogSw

-3.42

Polar Surface Area

58.857

Acid Dissociation Constant (pKa)

26.84

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

5498-2720 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 5498-2720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2720?
Check Price and Availability of 5498-2720, 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 5498-2720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2720
  • 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 5498-2720 available by request