7706-1240 Screening compound: 2-amino-4-(6-bromo-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

7706-1240 Screening compound: 2-amino-4-(6-bromo-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
7706-1240 Screening compound: 2-amino-4-(6-bromo-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 7706-1240
2-amino-4-(6-bromo-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

7706-1240

Molecular Formula

C23H17BrN4O4 (C23 H17 BrN4 O4)

Compound Name

2-amino-4-(6-bromo-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-(6-bromo-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(cc3OCOc3c3)c3Br)C#N)=C2C1=O

InChI

InChI=1S/C23H17BrN4O4/c1-12-6-19-21(23(29)28(12)10-13-4-2-3-5-27-13)20(15(9-25)22(26)32-19)14-7-17-18(8-16(14)24)31-11-30-17/h2-8,20H,10-11,26H2,1H3/t20-/m1/s1

InChI Key

YJPZKETYVIKJON-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03686927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.32

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

2.633

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-3.11

Polar Surface Area

88.009

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

7706-1240 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7706-1240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-1240?
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What is the minimum amount of 7706-1240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-1240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-1240
  • 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 7706-1240 available by request