8019-9656 Screening compound: 6,7-dimethoxy-2-(methylsulfanyl)-3-(tetrahydro-2-furanylmethyl)-4(3H)-quinazolinone

8019-9656 Screening compound: 6,7-dimethoxy-2-(methylsulfanyl)-3-(tetrahydro-2-furanylmethyl)-4(3H)-quinazolinone
8019-9656 Screening compound: 6,7-dimethoxy-2-(methylsulfanyl)-3-(tetrahydro-2-furanylmethyl)-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9656
6,7-dimethoxy-2-(methylsulfanyl)-3-(tetrahydro-2-furanylmethyl)-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

8019-9656

Molecular Formula

C16H20N2O4S (C16 H20 N2 O4 S)

Compound Name

6,7-dimethoxy-2-(methylsulfanyl)-3-(tetrahydro-2-furanylmethyl)-4(3H)-quinazolinone

IUPAC name

67-dimethoxy-2-(methylsulfanyl)-3-[(oxolan-2-yl)methyl]-34-dihydroquinazolin-4-one

SMILES

COc(c(OC)c1)cc(C(N2CC3OCCC3)=O)c1N=C2SC

InChI

InChI=1S/C16H20N2O4S/c1-20-13-7-11-12(8-14(13)21-2)17-16(23-3)18(15(11)19)9-10-5-4-6-22-10/h7-8,10H,4-6,9H2,1-3H3/t10-/m1/s1

InChI Key

PVWMMFKSRLJKCR-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD12034448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.938

Distribution Coefficient, logD

1.938

Water Solubility, LogSw

-2.43

Polar Surface Area

49.958

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8019-9656 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-9656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9656?
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What is the minimum amount of 8019-9656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9656
  • 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 8019-9656 available by request