7706-1195 Screening compound: 2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile

7706-1195 Screening compound: 2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile
7706-1195 Screening compound: 2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-1195
2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-6-[(oxolan-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

7706-1195

Molecular Formula

C21H19ClFN3O3 (C21 H19 ClFN3 O3)

Compound Name

2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile

IUPAC name

2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-4H5H6H-pyrano[32-c]pyridine-3-carbonitrile

SMILES

CC(N1CC2OCCC2)=CC(OC(N)=C(C2c(c(F)ccc3)c3Cl)C#N)=C2C1=O

InChI

InChI=1S/C21H19ClFN3O3/c1-11-8-16-19(21(27)26(11)10-12-4-3-7-28-12)17(13(9-24)20(25)29-16)18-14(22)5-2-6-15(18)23/h2,5-6,8,12,17H,3-4,7,10,25H2,1H3

InChI Key

TXQPQHXSJQYZDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06250428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.270

Distribution Coefficient, logD

2.270

Water Solubility, LogSw

-3.11

Polar Surface Area

70.005

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

7706-1195 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7706-1195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-1195?
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What is the minimum amount of 7706-1195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-1195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-1195
  • 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 7706-1195 available by request