D505-0080 Screening compound: ethyl 1-[2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzenesulfonyl]piperidine-4-carboxylate

D505-0080 Screening compound: ethyl 1-[2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzenesulfonyl]piperidine-4-carboxylate
D505-0080 Screening compound: ethyl 1-[2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzenesulfonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D505-0080
ethyl 1-[2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzenesulfonyl]piperidine-4-carboxylate

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

D505-0080

Molecular Formula

C24H31N3O5S (C24 H31 N3 O5 S)

Compound Name

ethyl 1-[2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzenesulfonyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[2-methyl-5-(3-methyl-4-oxo-345678-hexahydrophthalazin-1-yl)benzenesulfonyl]piperidine-4-carboxylate

SMILES

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

InChI

InChI=1S/C24H31N3O5S/c1-4-32-24(29)17-11-13-27(14-12-17)33(30,31)21-15-18(10-9-16(21)2)22-19-7-5-6-8-20(19)23(28)26(3)25-22/h9-10,15,17H,4-8,11-14H2,1-3H3

InChI Key

MHMDQWYABQGQLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14859560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-3.79

Polar Surface Area

79.803

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

References: we are preparing a list of scientific research reports with D505-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D505-0080?
Check Price and Availability of D505-0080, 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 D505-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D505-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D505-0080
  • 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 D505-0080 available by request