7706-1108 Screening compound: methyl 2-amino-7-methyl-5-oxo-4-(pyridin-3-yl)-4H,5H-pyrano[3,2-c]pyran-3-carboxylate

7706-1108 Screening compound: methyl 2-amino-7-methyl-5-oxo-4-(pyridin-3-yl)-4H,5H-pyrano[3,2-c]pyran-3-carboxylate
7706-1108 Screening compound: methyl 2-amino-7-methyl-5-oxo-4-(pyridin-3-yl)-4H,5H-pyrano[3,2-c]pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-1108
methyl 2-amino-7-methyl-5-oxo-4-(pyridin-3-yl)-4H,5H-pyrano[3,2-c]pyran-3-carboxylate

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

7706-1108

Molecular Formula

C16H14N2O5 (C16 H14 N2 O5)

Compound Name

methyl 2-amino-7-methyl-5-oxo-4-(pyridin-3-yl)-4H,5H-pyrano[3,2-c]pyran-3-carboxylate

IUPAC name

methyl 2-amino-7-methyl-5-oxo-4-(pyridin-3-yl)-4H5H-pyrano[32-c]pyran-3-carboxylate

SMILES

CC(O1)=CC(OC(N)=C(C2c3cnccc3)C(OC)=O)=C2C1=O

InChI

InChI=1S/C16H14N2O5/c1-8-6-10-12(16(20)22-8)11(9-4-3-5-18-7-9)13(14(17)23-10)15(19)21-2/h3-7,11H,17H2,1-2H3/t11-/m1/s1

InChI Key

MACREFQZRUDUIG-LLVKDONJSA-N

MDL Number (MFCD)

MFCD01606506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.657

Distribution Coefficient, logD

0.657

Water Solubility, LogSw

-0.63

Polar Surface Area

82.524

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

7706-1108 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 7706-1108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-1108?
Check Price and Availability of 7706-1108, 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 7706-1108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-1108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-1108
  • 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 7706-1108 available by request