V020-1904 Screening compound: 3-(2-fluorophenyl)-6,7,8-trimethoxy-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,4-dihydroquinazolin-4-one

V020-1904 Screening compound: 3-(2-fluorophenyl)-6,7,8-trimethoxy-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,4-dihydroquinazolin-4-one
V020-1904 Screening compound: 3-(2-fluorophenyl)-6,7,8-trimethoxy-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-1904
3-(2-fluorophenyl)-6,7,8-trimethoxy-2-{[2-(3-methoxyphenyl)-2-oxoethyl]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

V020-1904

Molecular Formula

C26H23FN2O6S (C26 H23 FN2 O6 S)

Compound Name

3-(2-fluorophenyl)-6,7,8-trimethoxy-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,4-dihydroquinazolin-4-one

IUPAC name

3-(2-fluorophenyl)-678-trimethoxy-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-34-dihydroquinazolin-4-one

SMILES

COc1cccc(C(CSC(N(c(cccc2)c2F)C(c2cc(OC)c3OC)=O)=Nc2c3OC)=O)c1

InChI

InChI=1S/C26H23FN2O6S/c1-32-16-9-7-8-15(12-16)20(30)14-36-26-28-22-17(13-21(33-2)23(34-3)24(22)35-4)25(31)29(26)19-11-6-5-10-18(19)27/h5-13H,14H2,1-4H3

InChI Key

BBFUXMZPTBIHSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.530

Distribution Coefficient, logD

4.530

Water Solubility, LogSw

-4.54

Polar Surface Area

66.462

Acid Dissociation Constant (pKa)

27.00

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V020-1904 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 V020-1904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-1904?
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What is the minimum amount of V020-1904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-1904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-1904
  • 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 V020-1904 available by request