Y501-6112 Screening compound: 3-(2,5-dimethoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone

Y501-6112 Screening compound: 3-(2,5-dimethoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone
Y501-6112 Screening compound: 3-(2,5-dimethoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-6112
3-(2,5-dimethoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone

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

Y501-6112

Molecular Formula

C16H14N2O3S (C16 H14 N2 O3 S)

Compound Name

3-(2,5-dimethoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone

IUPAC name

3-(25-dimethoxyphenyl)-2-sulfanyl-34-dihydroquinazolin-4-one

SMILES

COc(cc1)cc(N2C(S)=Nc(cccc3)c3C2=O)c1OC

InChI

InChI=1S/C16H14N2O3S/c1-20-10-7-8-14(21-2)13(9-10)18-15(19)11-5-3-4-6-12(11)17-16(18)22/h3-9H,1-2H3,(H,17,22)

InChI Key

SSBVKIDKQUGHGW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.387

Distribution Coefficient, logD

-3.075

Water Solubility, LogSw

-2.80

Polar Surface Area

39.811

Acid Dissociation Constant (pKa)

1.94

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y501-6112 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y501-6112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-6112?
Check Price and Availability of Y501-6112, 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 Y501-6112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-6112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-6112
  • 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 Y501-6112 available by request