8004-9544 Screening compound: 2-amino-4-(4-chlorophenyl)-8-[(E)-1-(4-chlorophenyl)methylidene]-6-ethyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridin-3-yl cyanide

8004-9544 Screening compound: 2-amino-4-(4-chlorophenyl)-8-[(E)-1-(4-chlorophenyl)methylidene]-6-ethyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridin-3-yl cyanide
8004-9544 Screening compound: 2-amino-4-(4-chlorophenyl)-8-[(E)-1-(4-chlorophenyl)methylidene]-6-ethyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9544
2-amino-4-(4-chlorophenyl)-8-[(E)-1-(4-chlorophenyl)methylidene]-6-ethyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridin-3-yl cyanide

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

8004-9544

Molecular Formula

C24H21Cl2N3O (C24 H21 Cl2 N3 O)

Compound Name

2-amino-4-(4-chlorophenyl)-8-[(E)-1-(4-chlorophenyl)methylidene]-6-ethyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridin-3-yl cyanide

IUPAC name

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

SMILES

CCN(CC(C1c(cc2)ccc2Cl)=C2OC(N)=C1C#N)C/C2=C\c(cc1)ccc1Cl

InChI

InChI=1S/C24H21Cl2N3O/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

JFMFPEDGIFBDTR-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD00746958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.36

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

4.896

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-5.32

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

20.83

8004-9544 in Drug Discovery

Included in Screening Libraries

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 8004-9544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9544?
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What is the minimum amount of 8004-9544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9544
  • 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 8004-9544 available by request