5627-0363 Screening compound: 2-{[6,6-dimethyl-4-(2-oxo-2-phenylethoxy)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-1-phenyl-1-ethanone

5627-0363 Screening compound: 2-{[6,6-dimethyl-4-(2-oxo-2-phenylethoxy)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-1-phenyl-1-ethanone
5627-0363 Screening compound: 2-{[6,6-dimethyl-4-(2-oxo-2-phenylethoxy)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-1-phenyl-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5627-0363
2-{[6,6-dimethyl-4-(2-oxo-2-phenylethoxy)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-1-phenyl-1-ethanone

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

5627-0363

Molecular Formula

C27H24N2O4S2 (C27 H24 N2 O4 S2)

Compound Name

2-{[6,6-dimethyl-4-(2-oxo-2-phenylethoxy)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-1-phenyl-1-ethanone

IUPAC name

2-({1212-dimethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}oxy)-1-phenylethan-1-one

SMILES

CC(C)(C1)OCc(sc2nc(SCC(c3ccccc3)=O)n3)c1c2c3OCC(c1ccccc1)=O

InChI

InChI=1S/C27H24N2O4S2/c1-27(2)13-19-22(15-33-27)35-25-23(19)24(32-14-20(30)17-9-5-3-6-10-17)28-26(29-25)34-16-21(31)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3

InChI Key

HTOXVVPBAATQBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.773

Distribution Coefficient, logD

5.773

Water Solubility, LogSw

-5.92

Polar Surface Area

60.461

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

5627-0363 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5627-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5627-0363?
Check Price and Availability of 5627-0363, 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 5627-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5627-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5627-0363
  • 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 5627-0363 available by request