6049-1028 Screening compound: (8E)-2-amino-4-(4-ethoxyphenyl)-8-[(4-ethoxyphenyl)methylidene]-6-ethyl-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile

6049-1028 Screening compound: (8E)-2-amino-4-(4-ethoxyphenyl)-8-[(4-ethoxyphenyl)methylidene]-6-ethyl-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile
6049-1028 Screening compound: (8E)-2-amino-4-(4-ethoxyphenyl)-8-[(4-ethoxyphenyl)methylidene]-6-ethyl-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1028
(8E)-2-amino-4-(4-ethoxyphenyl)-8-[(4-ethoxyphenyl)methylidene]-6-ethyl-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

6049-1028

Molecular Formula

C28H31N3O3 (C28 H31 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC(C1c(cc2)ccc2OCC)=C2OC(N)=C1C#N)C/C2=C\c(cc1)ccc1OCC

InChI

InChI=1S/C28H31N3O3/c1-4-31-17-21(15-19-7-11-22(12-8-19)32-5-2)27-25(18-31)26(24(16-29)28(30)34-27)20-9-13-23(14-10-20)33-6-3/h7-15,26H,4-6,17-18,30H2,1-3H3/t26-/m1/s1

InChI Key

XUJXQAZCYLFDEY-AREMUKBSSA-N

MDL Number (MFCD)

MFCD01242764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.445

Distribution Coefficient, logD

4.445

Water Solubility, LogSw

-4.45

Polar Surface Area

64.349

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

6049-1028 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 6049-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1028?
Check Price and Availability of 6049-1028, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6049-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1028
  • 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 6049-1028 available by request