L486-1234 Screening compound: ethyl 4-{[4-(6-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)piperidin-1-yl]sulfonyl}benzoate

L486-1234 Screening compound: ethyl 4-{[4-(6-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)piperidin-1-yl]sulfonyl}benzoate
L486-1234 Screening compound: ethyl 4-{[4-(6-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)piperidin-1-yl]sulfonyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L486-1234
ethyl 4-{[4-(6-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)piperidin-1-yl]sulfonyl}benzoate

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

L486-1234

Molecular Formula

C23H25N3O5S (C23 H25 N3 O5 S)

Compound Name

ethyl 4-{[4-(6-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)piperidin-1-yl]sulfonyl}benzoate

IUPAC name

ethyl 4-{[4-(6-methyl-4-oxo-34-dihydroquinazolin-3-yl)piperidin-1-yl]sulfonyl}benzoate

SMILES

CCOC(c(cc1)ccc1S(N(CC1)CCC1N(C=Nc1c2cc(C)cc1)C2=O)(=O)=O)=O

InChI

InChI=1S/C23H25N3O5S/c1-3-31-23(28)17-5-7-19(8-6-17)32(29,30)25-12-10-18(11-13-25)26-15-24-21-9-4-16(2)14-20(21)22(26)27/h4-9,14-15,18H,3,10-13H2,1-2H3

InChI Key

FQRXCODQZBROIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27457307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

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

3.450

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.71

Polar Surface Area

77.999

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

L486-1234 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 L486-1234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L486-1234?
Check Price and Availability of L486-1234, 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 L486-1234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L486-1234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L486-1234
  • 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 L486-1234 available by request