6392-0080 Screening compound: (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile

6392-0080 Screening compound: (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile
6392-0080 Screening compound: (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0080
(2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile

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

6392-0080

Molecular Formula

C22H17BrN4O4 (C22 H17 BrN4 O4)

Compound Name

(2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile

IUPAC name

(2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile

SMILES

N#C/C(/C(N1CCOCC1)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cc1)ccc1Br

InChI

InChI=1S/C22H17BrN4O4/c23-16-4-6-17(7-5-16)31-20-18(22(29)27-8-2-1-3-19(27)25-20)13-15(14-24)21(28)26-9-11-30-12-10-26/h1-8,13H,9-12H2

InChI Key

CHELTDXPKTWWGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04183243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.460

Distribution Coefficient, logD

2.460

Water Solubility, LogSw

-2.53

Polar Surface Area

74.355

Acid Dissociation Constant (pKa)

29.01

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

6392-0080 in Drug Discovery

Included in Screening Libraries

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 6392-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0080?
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What is the minimum amount of 6392-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0080
  • 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 6392-0080 available by request