D365-0137 Screening compound: 2-{[(naphthalen-1-yl)methyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-4-one

D365-0137 Screening compound: 2-{[(naphthalen-1-yl)methyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-4-one
D365-0137 Screening compound: 2-{[(naphthalen-1-yl)methyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D365-0137
2-{[(naphthalen-1-yl)methyl]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

D365-0137

Molecular Formula

C19H18N2OS (C19 H18 N2 OS)

Compound Name

2-{[(naphthalen-1-yl)methyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-4-one

IUPAC name

2-{[(naphthalen-1-yl)methyl]sulfanyl}-345678-hexahydroquinazolin-4-one

SMILES

O=C1NC(SCc2cccc3ccccc23)=NC2=C1CCCC2

InChI

InChI=1S/C19H18N2OS/c22-18-16-10-3-4-11-17(16)20-19(21-18)23-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9H,3-4,10-12H2,(H,20,21,22)

InChI Key

ZBNPVXGNGFGIMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10479994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.990

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-4.21

Polar Surface Area

34.200

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D365-0137 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D365-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D365-0137?
Check Price and Availability of D365-0137, 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 D365-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D365-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D365-0137
  • 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 D365-0137 available by request