D505-0055 Screening compound: 2-methyl-4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,2,5,6,7,8-hexahydrophthalazin-1-one

D505-0055 Screening compound: 2-methyl-4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,2,5,6,7,8-hexahydrophthalazin-1-one
D505-0055 Screening compound: 2-methyl-4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,2,5,6,7,8-hexahydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D505-0055
2-methyl-4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,2,5,6,7,8-hexahydrophthalazin-1-one

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

D505-0055

Molecular Formula

C22H29N3O3S (C22 H29 N3 O3 S)

Compound Name

2-methyl-4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,2,5,6,7,8-hexahydrophthalazin-1-one

IUPAC name

2-methyl-4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-125678-hexahydrophthalazin-1-one

SMILES

CC(CC1)CCN1S(c1c(C)ccc(C(C2=C3CCCC2)=NN(C)C3=O)c1)(=O)=O

InChI

InChI=1S/C22H29N3O3S/c1-15-10-12-25(13-11-15)29(27,28)20-14-17(9-8-16(20)2)21-18-6-4-5-7-19(18)22(26)24(3)23-21/h8-9,14-15H,4-7,10-13H2,1-3H3

InChI Key

OPABBMRYQYTWSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

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

4.338

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.20

Polar Surface Area

59.049

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

D505-0055 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D505-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D505-0055?
Check Price and Availability of D505-0055, 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 D505-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D505-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D505-0055
  • 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 D505-0055 available by request