7706-1088 Screening compound: 2-amino-4-(2-bromophenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile

7706-1088 Screening compound: 2-amino-4-(2-bromophenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile
7706-1088 Screening compound: 2-amino-4-(2-bromophenyl)-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 7706-1088
2-amino-4-(2-bromophenyl)-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

7706-1088

Molecular Formula

C21H20BrN3O3 (C21 H20 BrN3 O3)

Compound Name

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

SMILES

CC(N1CC2OCCC2)=CC(OC(N)=C(C2c(cccc3)c3Br)C#N)=C2C1=O

InChI

InChI=1S/C21H20BrN3O3/c1-12-9-17-19(21(26)25(12)11-13-5-4-8-27-13)18(15(10-23)20(24)28-17)14-6-2-3-7-16(14)22/h2-3,6-7,9,13,18H,4-5,8,11,24H2,1H3

InChI Key

BBWGRPHRGLMPOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04076066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.31

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

2.574

Distribution Coefficient, logD

2.574

Water Solubility, LogSw

-2.83

Polar Surface Area

70.005

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

7706-1088 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 7706-1088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-1088?
Check Price and Availability of 7706-1088, 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 7706-1088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-1088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-1088
  • 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 7706-1088 available by request