L486-0212 Screening compound: 7-chloro-3-[1-(4-propylbenzenesulfonyl)piperidin-4-yl]-3,4-dihydroquinazolin-4-one

L486-0212 Screening compound: 7-chloro-3-[1-(4-propylbenzenesulfonyl)piperidin-4-yl]-3,4-dihydroquinazolin-4-one
L486-0212 Screening compound: 7-chloro-3-[1-(4-propylbenzenesulfonyl)piperidin-4-yl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L486-0212
7-chloro-3-[1-(4-propylbenzenesulfonyl)piperidin-4-yl]-3,4-dihydroquinazolin-4-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

L486-0212

Molecular Formula

C22H24ClN3O3S (C22 H24 ClN3 O3 S)

Compound Name

7-chloro-3-[1-(4-propylbenzenesulfonyl)piperidin-4-yl]-3,4-dihydroquinazolin-4-one

IUPAC name

7-chloro-3-[1-(4-propylbenzenesulfonyl)piperidin-4-yl]-34-dihydroquinazolin-4-one

SMILES

CCCc(cc1)ccc1S(N(CC1)CCC1N(C=Nc1c2ccc(Cl)c1)C2=O)(=O)=O

InChI

InChI=1S/C22H24ClN3O3S/c1-2-3-16-4-7-19(8-5-16)30(28,29)25-12-10-18(11-13-25)26-15-24-21-14-17(23)6-9-20(21)22(26)27/h4-9,14-15,18H,2-3,10-13H2,1H3

InChI Key

QTLRPZUSCUPFRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27457014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.387

Distribution Coefficient, logD

4.387

Water Solubility, LogSw

-4.58

Polar Surface Area

57.245

Acid Dissociation Constant (pKa)

26.80

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L486-0212 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L486-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L486-0212?
Check Price and Availability of L486-0212, 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 L486-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L486-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L486-0212
  • 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 L486-0212 available by request