8004-9538 Screening compound: (8E)-2-amino-6-ethyl-4-phenyl-8-(phenylmethylidene)-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile

8004-9538 Screening compound: (8E)-2-amino-6-ethyl-4-phenyl-8-(phenylmethylidene)-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile
8004-9538 Screening compound: (8E)-2-amino-6-ethyl-4-phenyl-8-(phenylmethylidene)-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9538
(8E)-2-amino-6-ethyl-4-phenyl-8-(phenylmethylidene)-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

8004-9538

Molecular Formula

C24H23N3O (C24 H23 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC(C1c2ccccc2)=C2OC(N)=C1C#N)C/C2=C\c1ccccc1

InChI

InChI=1S/C24H23N3O/c1-2-27-15-19(13-17-9-5-3-6-10-17)23-21(16-27)22(18-11-7-4-8-12-18)20(14-25)24(26)28-23/h3-13,22H,2,15-16,26H2,1H3/t22-/m1/s1

InChI Key

MQLMQPAZKQROAZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD00746955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

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

3.715

Distribution Coefficient, logD

3.715

Water Solubility, LogSw

-4.20

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

8004-9538 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-9538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9538?
Check Price and Availability of 8004-9538, 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 8004-9538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9538
  • 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 8004-9538 available by request