6392-0451 Screening compound: (E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-propenamide

6392-0451 Screening compound: (E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-propenamide
6392-0451 Screening compound: (E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0451
(E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-propenamide

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

6392-0451

Molecular Formula

C24H22N4O5S (C24 H22 N4 O5 S)

Compound Name

(E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-propenamide

IUPAC name

(2E)-2-cyano-3-[2-(23-dimethylphenoxy)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]-N-(11-dioxo-1lambda6-thiolan-3-yl)prop-2-enamide

SMILES

Cc1cccc(OC(N=C2N3C=CC=C2)=C(/C=C(/C(NC(CC2)CS2(=O)=O)=O)\C#N)C3=O)c1C

InChI

InChI=1S/C24H22N4O5S/c1-15-6-5-7-20(16(15)2)33-23-19(24(30)28-10-4-3-8-21(28)27-23)12-17(13-25)22(29)26-18-9-11-34(31,32)14-18/h3-8,10,12,18H,9,11,14H2,1-2H3,(H,26,29)/t18-/m1/s1

InChI Key

PMNMWACODNNHRI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04189064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.923

Distribution Coefficient, logD

1.923

Water Solubility, LogSw

-2.37

Polar Surface Area

102.461

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

6392-0451 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6392-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6392-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0451
  • 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 6392-0451 available by request