8018-6680 Screening compound: 3-methyl-2-{[2-oxo-2-(pyridin-2-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-4-one

8018-6680 Screening compound: 3-methyl-2-{[2-oxo-2-(pyridin-2-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-4-one
8018-6680 Screening compound: 3-methyl-2-{[2-oxo-2-(pyridin-2-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6680
3-methyl-2-{[2-oxo-2-(pyridin-2-yl)ethyl]sulfanyl}-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

8018-6680

Molecular Formula

C16H13N3O2S (C16 H13 N3 O2 S)

Compound Name

3-methyl-2-{[2-oxo-2-(pyridin-2-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-4-one

IUPAC name

3-methyl-2-{[2-oxo-2-(pyridin-2-yl)ethyl]sulfanyl}-34-dihydroquinazolin-4-one

SMILES

CN1C(SCC(c2ncccc2)=O)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C16H13N3O2S/c1-19-15(21)11-6-2-3-7-12(11)18-16(19)22-10-14(20)13-8-4-5-9-17-13/h2-9H,10H2,1H3

InChI Key

HOWMUQCHNOQPHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.524

Distribution Coefficient, logD

1.524

Water Solubility, LogSw

-2.33

Polar Surface Area

48.103

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8018-6680 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 8018-6680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6680?
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What is the minimum amount of 8018-6680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6680
  • 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 8018-6680 available by request