D467-0107 Screening compound: 2-(pentylsulfanyl)-3,4,5,6,7,8-hexahydroquinazolin-4-one

D467-0107 Screening compound: 2-(pentylsulfanyl)-3,4,5,6,7,8-hexahydroquinazolin-4-one
D467-0107 Screening compound: 2-(pentylsulfanyl)-3,4,5,6,7,8-hexahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D467-0107
2-(pentylsulfanyl)-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

D467-0107

Molecular Formula

C13H20N2OS (C13 H20 N2 OS)

Compound Name

2-(pentylsulfanyl)-3,4,5,6,7,8-hexahydroquinazolin-4-one

IUPAC name

2-(pentylsulfanyl)-345678-hexahydroquinazolin-4-one

SMILES

CCCCCSC(N1)=NC(CCCC2)=C2C1=O

InChI

InChI=1S/C13H20N2OS/c1-2-3-6-9-17-13-14-11-8-5-4-7-10(11)12(16)15-13/h2-9H2,1H3,(H,14,15,16)

InChI Key

IPWGOCLLJQHTEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.596

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.55

Polar Surface Area

34.743

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.20

References: we are preparing a list of scientific research reports with D467-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D467-0107?
Check Price and Availability of D467-0107, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D467-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D467-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D467-0107
  • 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 D467-0107 available by request