0310-0468 Screening compound: (2E,4E)-5-[(6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]-2,4-pentadienal

0310-0468 Screening compound: (2E,4E)-5-[(6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]-2,4-pentadienal
0310-0468 Screening compound: (2E,4E)-5-[(6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]-2,4-pentadienal alternative view

Chemical Structure Depiction of ChemDiv screening compound 0310-0468
(2E,4E)-5-[(6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]-2,4-pentadienal

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

0310-0468

Molecular Formula

C19H12N2O3 (C19 H12 N2 O3)

Compound Name

(2E,4E)-5-[(6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]-2,4-pentadienal

IUPAC name

(2E4E)-5-({8-oxo-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)2(7)3591113-heptaen-10-yl}amino)penta-24-dienal

SMILES

O=C/C=C/C=C/Nc(ccc1noc(-c2c3cccc2)c11)c1C3=O

InChI

InChI=1S/C19H12N2O3/c22-11-5-1-4-10-20-14-8-9-15-17-16(14)18(23)12-6-2-3-7-13(12)19(17)24-21-15/h1-11,20H

InChI Key

DGBMSXGUKNUJGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.942

Distribution Coefficient, logD

2.942

Water Solubility, LogSw

-3.85

Polar Surface Area

59.072

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0310-0468 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0310-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0310-0468?
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What is the minimum amount of 0310-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0310-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0310-0468
  • 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 0310-0468 available by request