F153-1346 Screening compound: 4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-ethylphenyl}-1,2,5,6,7,8-hexahydrophthalazin-1-one

F153-1346 Screening compound: 4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-ethylphenyl}-1,2,5,6,7,8-hexahydrophthalazin-1-one
F153-1346 Screening compound: 4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-ethylphenyl}-1,2,5,6,7,8-hexahydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F153-1346
4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-ethylphenyl}-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

F153-1346

Molecular Formula

C28H33N3O3S (C28 H33 N3 O3 S)

Compound Name

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

IUPAC name

4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-ethylphenyl}-125678-hexahydrophthalazin-1-one

SMILES

CCc(ccc(C(C1=C2CCCC1)=NNC2=O)c1)c1S(N1CCC(Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C28H33N3O3S/c1-2-22-12-13-23(27-24-10-6-7-11-25(24)28(32)30-29-27)19-26(22)35(33,34)31-16-14-21(15-17-31)18-20-8-4-3-5-9-20/h3-5,8-9,12-13,19,21H,2,6-7,10-11,14-18H2,1H3,(H,30,32)

InChI Key

WTGVOIDKQVOCAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.606

Distribution Coefficient, logD

6.605

Water Solubility, LogSw

-5.71

Polar Surface Area

67.990

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F153-1346 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 F153-1346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F153-1346?
Check Price and Availability of F153-1346, 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 F153-1346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F153-1346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F153-1346
  • 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 F153-1346 available by request