8018-6918 Screening compound: 7-(benzylsulfanyl)-2,3-dimethyl-5-nitro-3,4-dihydroquinazolin-4-one

8018-6918 Screening compound: 7-(benzylsulfanyl)-2,3-dimethyl-5-nitro-3,4-dihydroquinazolin-4-one
8018-6918 Screening compound: 7-(benzylsulfanyl)-2,3-dimethyl-5-nitro-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6918
7-(benzylsulfanyl)-2,3-dimethyl-5-nitro-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

8018-6918

Molecular Formula

C17H15N3O3S (C17 H15 N3 O3 S)

Compound Name

7-(benzylsulfanyl)-2,3-dimethyl-5-nitro-3,4-dihydroquinazolin-4-one

IUPAC name

7-(benzylsulfanyl)-23-dimethyl-5-nitro-34-dihydroquinazolin-4-one

SMILES

CC(N1C)=Nc2cc(SCc3ccccc3)cc([N+]([O-])=O)c2C1=O

InChI

InChI=1S/C17H15N3O3S/c1-11-18-14-8-13(24-10-12-6-4-3-5-7-12)9-15(20(22)23)16(14)17(21)19(11)2/h3-9H,10H2,1-2H3

InChI Key

ZUKUCASNVCHGPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.900

Distribution Coefficient, logD

2.900

Water Solubility, LogSw

-3.49

Polar Surface Area

57.232

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8018-6918 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 8018-6918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6918?
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What is the minimum amount of 8018-6918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6918
  • 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 8018-6918 available by request