L695-0485 Screening compound: N-(2,5-dimethylphenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

L695-0485 Screening compound: N-(2,5-dimethylphenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
L695-0485 Screening compound: N-(2,5-dimethylphenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L695-0485
N-(2,5-dimethylphenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

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

L695-0485

Molecular Formula

C25H30N4O5S (C25 H30 N4 O5 S)

Compound Name

N-(2,5-dimethylphenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

IUPAC name

N-(25-dimethylphenyl)-1-methyl-24-dioxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

Cc1cc(NS(c(cc2)cc(C(N3CCC(N4CCCCC4)=O)=O)c2N(C)C3=O)(=O)=O)c(C)cc1

InChI

InChI=1S/C25H30N4O5S/c1-17-7-8-18(2)21(15-17)26-35(33,34)19-9-10-22-20(16-19)24(31)29(25(32)27(22)3)14-11-23(30)28-12-5-4-6-13-28/h7-10,15-16,26H,4-6,11-14H2,1-3H3

InChI Key

AJIOFACPIHBGDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

2.553

Water Solubility, LogSw

-3.12

Polar Surface Area

87.627

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L695-0485 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L695-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L695-0485?
Check Price and Availability of L695-0485, 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 L695-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L695-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L695-0485
  • 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 L695-0485 available by request