7682-0142 Screening compound: 7-{[(naphthalen-1-yl)methyl]sulfanyl}-3-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

7682-0142 Screening compound: 7-{[(naphthalen-1-yl)methyl]sulfanyl}-3-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
7682-0142 Screening compound: 7-{[(naphthalen-1-yl)methyl]sulfanyl}-3-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7682-0142
7-{[(naphthalen-1-yl)methyl]sulfanyl}-3-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

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

7682-0142

Molecular Formula

C23H16N4O2S (C23 H16 N4 O2 S)

Compound Name

7-{[(naphthalen-1-yl)methyl]sulfanyl}-3-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

7-{[(naphthalen-1-yl)methyl]sulfanyl}-3-phenyl-1H2H3H4H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

O=C(c(cn1)c(N2)nc1SCc1cccc3ccccc13)N(c1ccccc1)C2=O

InChI

InChI=1S/C23H16N4O2S/c28-21-19-13-24-22(30-14-16-9-6-8-15-7-4-5-12-18(15)16)25-20(19)26-23(29)27(21)17-10-2-1-3-11-17/h1-13H,14H2,(H,24,25,26,29)

InChI Key

DWXBMANPIKTDTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.327

Distribution Coefficient, logD

2.983

Water Solubility, LogSw

-4.46

Polar Surface Area

57.716

Acid Dissociation Constant (pKa)

6.08

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

7682-0142 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

C-Met Library (15277 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7682-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7682-0142?
Check Price and Availability of 7682-0142, 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 7682-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7682-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7682-0142
  • 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 7682-0142 available by request