7706-1044 Screening compound: 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile

7706-1044 Screening compound: 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile
7706-1044 Screening compound: 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-1044
2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-4H,5H,6H-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

7706-1044

Molecular Formula

C23H18N4O4 (C23 H18 N4 O4)

Compound Name

2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile

IUPAC name

2-amino-4-(2H-13-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-4H5H6H-pyrano[32-c]pyridine-3-carbonitrile

SMILES

CC(N1Cc2ncccc2)=CC(OC(N)=C(C2c(cc3)cc4c3OCO4)C#N)=C2C1=O

InChI

InChI=1S/C23H18N4O4/c1-13-8-19-21(23(28)27(13)11-15-4-2-3-7-26-15)20(16(10-24)22(25)31-19)14-5-6-17-18(9-14)30-12-29-17/h2-9,20H,11-12,25H2,1H3/t20-/m1/s1

InChI Key

JXQKAIXZGNUFJJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03684876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.036

Distribution Coefficient, logD

2.036

Water Solubility, LogSw

-2.58

Polar Surface Area

88.009

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

7706-1044 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 7706-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-1044?
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What is the minimum amount of 7706-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-1044
  • 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 7706-1044 available by request