6857-0009 Screening compound: 1-amino-N~2~-(4-methoxyphenyl)-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide

6857-0009 Screening compound: 1-amino-N~2~-(4-methoxyphenyl)-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
6857-0009 Screening compound: 1-amino-N~2~-(4-methoxyphenyl)-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6857-0009
1-amino-N~2~-(4-methoxyphenyl)-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide

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

6857-0009

Molecular Formula

C24H28N4O4S (C24 H28 N4 O4 S)

Compound Name

1-amino-N~2~-(4-methoxyphenyl)-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide

IUPAC name

3-amino-N-(4-methoxyphenyl)-1212-dimethyl-8-(morpholin-4-yl)-11-oxa-5-thia-7-azatricyclo[7.4.0.0^{26}]trideca-1(9)2(6)37-tetraene-4-carboxamide

SMILES

CC(C)(Cc1c23)OCc1c(N1CCOCC1)nc2sc(C(Nc(cc1)ccc1OC)=O)c3N

InChI

InChI=1S/C24H28N4O4S/c1-24(2)12-16-17(13-32-24)21(28-8-10-31-11-9-28)27-23-18(16)19(25)20(33-23)22(29)26-14-4-6-15(30-3)7-5-14/h4-7H,8-13,25H2,1-3H3,(H,26,29)

InChI Key

NYPDKNRODXQFFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03293372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.280

Distribution Coefficient, logD

4.280

Water Solubility, LogSw

-4.58

Polar Surface Area

78.892

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

6857-0009 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 6857-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6857-0009?
Check Price and Availability of 6857-0009, 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 6857-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6857-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6857-0009
  • 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 6857-0009 available by request