8015-7358 Screening compound: 1,3-dimethyl-6-[(4-phenylpiperidino)sulfonyl]-2,4(1H,3H)-quinazolinedione

8015-7358 Screening compound: 1,3-dimethyl-6-[(4-phenylpiperidino)sulfonyl]-2,4(1H,3H)-quinazolinedione
8015-7358 Screening compound: 1,3-dimethyl-6-[(4-phenylpiperidino)sulfonyl]-2,4(1H,3H)-quinazolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7358
1,3-dimethyl-6-[(4-phenylpiperidino)sulfonyl]-2,4(1H,3H)-quinazolinedione

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

8015-7358

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

1,3-dimethyl-6-[(4-phenylpiperidino)sulfonyl]-2,4(1H,3H)-quinazolinedione

IUPAC name

13-dimethyl-6-[(4-phenylpiperidin-1-yl)sulfonyl]-1234-tetrahydroquinazoline-24-dione

SMILES

CN(c(ccc(S(N(CC1)CCC1c1ccccc1)(=O)=O)c1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C21H23N3O4S/c1-22-19-9-8-17(14-18(19)20(25)23(2)21(22)26)29(27,28)24-12-10-16(11-13-24)15-6-4-3-5-7-15/h3-9,14,16H,10-13H2,1-2H3

InChI Key

RCAZJFWGDXNGPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.484

Water Solubility, LogSw

-3.81

Polar Surface Area

62.781

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

-4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8015-7358 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8015-7358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7358?
Check Price and Availability of 8015-7358, 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 8015-7358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7358
  • 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 8015-7358 available by request