D467-0098 Screening compound: 2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-4-one

D467-0098 Screening compound: 2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-4-one
D467-0098 Screening compound: 2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D467-0098
2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-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

D467-0098

Molecular Formula

C17H20N2O2S (C17 H20 N2 O2 S)

Compound Name

2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-4-one

IUPAC name

2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-345678-hexahydroquinazolin-4-one

SMILES

Cc(cc1)ccc1OCCSC(N1)=NC(CCCC2)=C2C1=O

InChI

InChI=1S/C17H20N2O2S/c1-12-6-8-13(9-7-12)21-10-11-22-17-18-15-5-3-2-4-14(15)16(20)19-17/h6-9H,2-5,10-11H2,1H3,(H,18,19,20)

InChI Key

AUGDAIUJVBDNJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.280

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.50

Polar Surface Area

41.890

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with D467-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D467-0098?
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What is the minimum amount of D467-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D467-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D467-0098
  • 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 D467-0098 available by request