5611-1948 Screening compound: 1-cyclohexyl-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

5611-1948 Screening compound: 1-cyclohexyl-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
5611-1948 Screening compound: 1-cyclohexyl-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5611-1948
1-cyclohexyl-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-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

5611-1948

Molecular Formula

C24H24N4O3S (C24 H24 N4 O3 S)

Compound Name

1-cyclohexyl-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

IUPAC name

7-cyclohexyl-6-imino-5-(4-methylbenzenesulfonyl)-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaen-2-one

SMILES

Cc(cc1)ccc1S(C(C(N1C2CCCCC2)=N)=CC2=C1N=C(C=CC=C1)N1C2=O)(=O)=O

InChI

InChI=1S/C24H24N4O3S/c1-16-10-12-18(13-11-16)32(30,31)20-15-19-23(26-21-9-5-6-14-27(21)24(19)29)28(22(20)25)17-7-3-2-4-8-17/h5-6,9-15,17,25H,2-4,7-8H2,1H3

InChI Key

AFEAXIZISCNBEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03670132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.474

Distribution Coefficient, logD

3.427

Water Solubility, LogSw

-3.75

Polar Surface Area

72.991

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

5611-1948 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5611-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5611-1948?
Check Price and Availability of 5611-1948, 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 5611-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5611-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5611-1948
  • 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 5611-1948 available by request