8004-9546 Screening compound: (8E)-2-amino-6-ethyl-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile

8004-9546 Screening compound: (8E)-2-amino-6-ethyl-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile
8004-9546 Screening compound: (8E)-2-amino-6-ethyl-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9546
(8E)-2-amino-6-ethyl-4-(4-fluorophenyl)-8-[(4-fluorophenyl)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

8004-9546

Molecular Formula

C24H21F2N3O (C24 H21 F2 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC(C1c(cc2)ccc2F)=C2OC(N)=C1C#N)C/C2=C\c(cc1)ccc1F

InChI

InChI=1S/C24H21F2N3O/c1-2-29-13-17(11-15-3-7-18(25)8-4-15)23-21(14-29)22(20(12-27)24(28)30-23)16-5-9-19(26)10-6-16/h3-11,22H,2,13-14,28H2,1H3/t22-/m1/s1

InChI Key

HDRVKWMIYVUCKZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD00746960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.765

Distribution Coefficient, logD

3.765

Water Solubility, LogSw

-4.19

Polar Surface Area

50.102

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 8004-9546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9546?
Check Price and Availability of 8004-9546, 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 8004-9546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9546
  • 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 8004-9546 available by request