7954-3762 Screening compound: ethyl 2-amino-4-(2-chloro-6-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carboxylate

7954-3762 Screening compound: ethyl 2-amino-4-(2-chloro-6-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carboxylate
7954-3762 Screening compound: ethyl 2-amino-4-(2-chloro-6-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-3762
ethyl 2-amino-4-(2-chloro-6-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]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

7954-3762

Molecular Formula

C18H15ClFNO6 (C18 H15 ClFNO6)

Compound Name

ethyl 2-amino-4-(2-chloro-6-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carboxylate

IUPAC name

ethyl 2-amino-4-(2-chloro-6-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4H8H-pyrano[32-b]pyran-3-carboxylate

SMILES

CCOC(C(C1c(c(F)ccc2)c2Cl)=C(N)OC2=C1OC(CO)=CC2=O)=O

InChI

InChI=1S/C18H15ClFNO6/c1-2-25-18(24)14-13(12-9(19)4-3-5-10(12)20)16-15(27-17(14)21)11(23)6-8(7-22)26-16/h3-6,13,22H,2,7,21H2,1H3/t13-/m1/s1

InChI Key

GUMSIRCVANOEGI-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03863358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.795

Distribution Coefficient, logD

1.795

Water Solubility, LogSw

-2.40

Polar Surface Area

90.407

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

7954-3762 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 7954-3762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-3762?
Check Price and Availability of 7954-3762, 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 7954-3762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-3762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-3762
  • 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 7954-3762 available by request