5611-1986 Screening compound: 1-(3-ethoxypropyl)-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

5611-1986 Screening compound: 1-(3-ethoxypropyl)-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
5611-1986 Screening compound: 1-(3-ethoxypropyl)-2-imino-8-methyl-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 5611-1986
1-(3-ethoxypropyl)-2-imino-8-methyl-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

5611-1986

Molecular Formula

C24H26N4O4S (C24 H26 N4 O4 S)

Compound Name

1-(3-ethoxypropyl)-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

IUPAC name

7-(3-ethoxypropyl)-6-imino-13-methyl-5-(4-methylbenzenesulfonyl)-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaen-2-one

SMILES

CCOCCCN(C(C(S(c1ccc(C)cc1)(=O)=O)=C1)=N)C(N=C2N3C=C(C)C=C2)=C1C3=O

InChI

InChI=1S/C24H26N4O4S/c1-4-32-13-5-12-27-22(25)20(33(30,31)18-9-6-16(2)7-10-18)14-19-23(27)26-21-11-8-17(3)15-28(21)24(19)29/h6-11,14-15,25H,4-5,12-13H2,1-3H3

InChI Key

BNSHWEKHNGIVJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.668

Distribution Coefficient, logD

2.489

Water Solubility, LogSw

-3.04

Polar Surface Area

82.516

Acid Dissociation Constant (pKa)

27.98

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

5611-1986 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 5611-1986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5611-1986?
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What is the minimum amount of 5611-1986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5611-1986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5611-1986
  • 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 5611-1986 available by request