G857-1988 Screening compound: methyl 2-amino-6-[(furan-2-yl)methyl]-7-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carboxylate

G857-1988 Screening compound: methyl 2-amino-6-[(furan-2-yl)methyl]-7-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carboxylate
G857-1988 Screening compound: methyl 2-amino-6-[(furan-2-yl)methyl]-7-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-1988
methyl 2-amino-6-[(furan-2-yl)methyl]-7-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H,5H,6H-pyrano[3,2-c]pyridine-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

G857-1988

Molecular Formula

C23H19F3N2O5 (C23 H19 F3 N2 O5)

Compound Name

methyl 2-amino-6-[(furan-2-yl)methyl]-7-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carboxylate

IUPAC name

methyl 2-amino-6-[(furan-2-yl)methyl]-7-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H5H6H-pyrano[32-c]pyridine-3-carboxylate

SMILES

CC(N1Cc2ccco2)=CC(OC(N)=C(C2c3ccc(C(F)(F)F)cc3)C(OC)=O)=C2C1=O

InChI

InChI=1S/C23H19F3N2O5/c1-12-10-16-18(21(29)28(12)11-15-4-3-9-32-15)17(19(20(27)33-16)22(30)31-2)13-5-7-14(8-6-13)23(24,25)26/h3-10,17H,11,27H2,1-2H3/t17-/m1/s1

InChI Key

ZVAGVYIPTYNEGD-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06750181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.76

Polar Surface Area

73.217

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

G857-1988 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G857-1988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1988?
Check Price and Availability of G857-1988, 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 G857-1988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1988
  • 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 G857-1988 available by request