7682-0154 Screening compound: 7-{[(4-chlorophenyl)methyl]sulfanyl}-3-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

7682-0154 Screening compound: 7-{[(4-chlorophenyl)methyl]sulfanyl}-3-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
7682-0154 Screening compound: 7-{[(4-chlorophenyl)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 7682-0154
7-{[(4-chlorophenyl)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

7682-0154

Molecular Formula

C19H13ClN4O2S (C19 H13 ClN4 O2 S)

Compound Name

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

IUPAC name

7-{[(4-chlorophenyl)methyl]sulfanyl}-3-phenyl-1H2H3H4H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

O=C(c(cn1)c(N2)nc1SCc(cc1)ccc1Cl)N(c1ccccc1)C2=O

InChI

InChI=1S/C19H13ClN4O2S/c20-13-8-6-12(7-9-13)11-27-18-21-10-15-16(22-18)23-19(26)24(17(15)25)14-4-2-1-3-5-14/h1-10H,11H2,(H,21,22,23,26)

InChI Key

MVRUXJURAVISHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.86

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

3.414

Distribution Coefficient, logD

2.070

Water Solubility, LogSw

-3.96

Polar Surface Area

57.988

Acid Dissociation Constant (pKa)

6.08

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

7682-0154 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

C-Met Library (15277 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7682-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7682-0154?
Check Price and Availability of 7682-0154, 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 7682-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7682-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7682-0154
  • 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 7682-0154 available by request