8004-9548 Screening compound: (8E)-2-amino-6-ethyl-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile

8004-9548 Screening compound: (8E)-2-amino-6-ethyl-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile
8004-9548 Screening compound: (8E)-2-amino-6-ethyl-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9548
(8E)-2-amino-6-ethyl-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile

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

8004-9548

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

(8E)-2-amino-6-ethyl-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile

IUPAC name

(8E)-2-amino-6-ethyl-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-4H5H6H7H8H-pyrano[32-c]pyridine-3-carbonitrile

SMILES

CCN(CC(C1c(cc2)ccc2OC)=C2OC(N)=C1C#N)C/C2=C\c(cc1)ccc1OC

InChI

InChI=1S/C26H27N3O3/c1-4-29-15-19(13-17-5-9-20(30-2)10-6-17)25-23(16-29)24(22(14-27)26(28)32-25)18-7-11-21(31-3)12-8-18/h5-13,24H,4,15-16,28H2,1-3H3/t24-/m1/s1

InChI Key

FAOUZQKNVGCJQQ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD00746962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-4.05

Polar Surface Area

65.190

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

8004-9548 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8004-9548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9548?
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What is the minimum amount of 8004-9548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9548
  • 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 8004-9548 available by request