5611-1951 Screening compound: 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

5611-1951 Screening compound: 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
5611-1951 Screening compound: 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5611-1951
3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-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

5611-1951

Molecular Formula

C23H21ClN4O3S (C23 H21 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

N=C(C(S(c(cc1)ccc1Cl)(=O)=O)=C1)N(C2CCCCC2)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C23H21ClN4O3S/c24-15-9-11-17(12-10-15)32(30,31)19-14-18-22(26-20-8-4-5-13-27(20)23(18)29)28(21(19)25)16-6-2-1-3-7-16/h4-5,8-14,16,25H,1-3,6-7H2

InChI Key

QDQDBZFMYFTMBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03670322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.96

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

3.645

Distribution Coefficient, logD

3.599

Water Solubility, LogSw

-4.11

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

26.10

5611-1951 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5611-1951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5611-1951?
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What is the minimum amount of 5611-1951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5611-1951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5611-1951
  • 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 5611-1951 available by request