8640-0496 Screening compound: ethyl 1-amino-8-isopropyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate

8640-0496 Screening compound: ethyl 1-amino-8-isopropyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
8640-0496 Screening compound: ethyl 1-amino-8-isopropyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0496
ethyl 1-amino-8-isopropyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-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

8640-0496

Molecular Formula

C20H27N3O4S (C20 H27 N3 O4 S)

Compound Name

ethyl 1-amino-8-isopropyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate

IUPAC name

ethyl 3-amino-8-(morpholin-4-yl)-12-(propan-2-yl)-11-oxa-5-thia-7-azatricyclo[7.4.0.0^{26}]trideca-1(9)2(6)37-tetraene-4-carboxylate

SMILES

CCOC(c(sc1nc(N2CCOCC2)c(COC(C2)C(C)C)c2c11)c1N)=O

InChI

InChI=1S/C20H27N3O4S/c1-4-26-20(24)17-16(21)15-12-9-14(11(2)3)27-10-13(12)18(22-19(15)28-17)23-5-7-25-8-6-23/h11,14H,4-10,21H2,1-3H3/t14-/m1/s1

InChI Key

BPYATQKIMLKCMF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03683005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.139

Distribution Coefficient, logD

4.139

Water Solubility, LogSw

-4.26

Polar Surface Area

69.665

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

8640-0496 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8640-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0496?
Check Price and Availability of 8640-0496, 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 8640-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0496
  • 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 8640-0496 available by request