Y040-4913 Screening compound: 6,7-dimethoxy-2-({[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanyl}methyl)-3,4-dihydroquinazolin-4-one

Y040-4913 Screening compound: 6,7-dimethoxy-2-({[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanyl}methyl)-3,4-dihydroquinazolin-4-one
Y040-4913 Screening compound: 6,7-dimethoxy-2-({[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanyl}methyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4913
6,7-dimethoxy-2-({[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanyl}methyl)-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

Y040-4913

Molecular Formula

C18H21N3O5S (C18 H21 N3 O5 S)

Compound Name

6,7-dimethoxy-2-({[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanyl}methyl)-3,4-dihydroquinazolin-4-one

IUPAC name

67-dimethoxy-2-({[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanyl}methyl)-34-dihydroquinazolin-4-one

SMILES

COc(c(OC)c1)cc2c1N=C(CSCC(N(CC1)CCC1=O)=O)NC2=O

InChI

InChI=1S/C18H21N3O5S/c1-25-14-7-12-13(8-15(14)26-2)19-16(20-18(12)24)9-27-10-17(23)21-5-3-11(22)4-6-21/h7-8H,3-6,9-10H2,1-2H3,(H,19,20,24)

InChI Key

DJUWJAQXTHIAME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.064

Distribution Coefficient, logD

0.064

Water Solubility, LogSw

-2.43

Polar Surface Area

79.903

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

Y040-4913 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 Y040-4913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4913?
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What is the minimum amount of Y040-4913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4913
  • 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 Y040-4913 available by request