3966-1155 Screening compound: ethyl 5-(1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl)-2-furoate

3966-1155 Screening compound: ethyl 5-(1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl)-2-furoate
3966-1155 Screening compound: ethyl 5-(1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl)-2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-1155
ethyl 5-(1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl)-2-furoate

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

3966-1155

Molecular Formula

C23H27N3O5S (C23 H27 N3 O5 S)

Compound Name

ethyl 5-(1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl)-2-furoate

IUPAC name

ethyl 5-[3-amino-1212-dimethyl-8-(morpholin-4-yl)-11-oxa-5-thia-7-azatricyclo[7.4.0.0^{26}]trideca-1(9)2(6)37-tetraen-4-yl]furan-2-carboxylate

SMILES

CCOC(c1ccc(-c(sc2nc(N3CCOCC3)c(COC(C)(C)C3)c3c22)c2N)o1)=O

InChI

InChI=1S/C23H27N3O5S/c1-4-29-22(27)16-6-5-15(31-16)19-18(24)17-13-11-23(2,3)30-12-14(13)20(25-21(17)32-19)26-7-9-28-10-8-26/h5-6H,4,7-12,24H2,1-3H3

InChI Key

QZYKNSOTHUEVPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01558302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.728

Distribution Coefficient, logD

4.727

Water Solubility, LogSw

-4.85

Polar Surface Area

77.410

Acid Dissociation Constant (pKa)

20.82

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with 3966-1155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-1155?
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What is the minimum amount of 3966-1155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-1155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-1155
  • 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 3966-1155 available by request