8640-0502 Screening compound: 1-amino-N~2~-(4-ethoxyphenyl)-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide

8640-0502 Screening compound: 1-amino-N~2~-(4-ethoxyphenyl)-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
8640-0502 Screening compound: 1-amino-N~2~-(4-ethoxyphenyl)-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 8640-0502
1-amino-N~2~-(4-ethoxyphenyl)-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

8640-0502

Molecular Formula

C25H30N4O4S (C25 H30 N4 O4 S)

Compound Name

1-amino-N~2~-(4-ethoxyphenyl)-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-ethoxyphenyl)-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

CCOc(cc1)ccc1NC(c(sc1nc(N2CCOCC2)c(COC(C)(C)C2)c2c11)c1N)=O

InChI

InChI=1S/C25H30N4O4S/c1-4-32-16-7-5-15(6-8-16)27-23(30)21-20(26)19-17-13-25(2,3)33-14-18(17)22(28-24(19)34-21)29-9-11-31-12-10-29/h5-8H,4,9-14,26H2,1-3H3,(H,27,30)

InChI Key

LUCDSRARXJQKRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04033754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.667

Distribution Coefficient, logD

4.667

Water Solubility, LogSw

-4.66

Polar Surface Area

78.471

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

8640-0502 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8640-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0502?
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What is the minimum amount of 8640-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0502
  • 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 8640-0502 available by request