8640-0701 Screening compound: 2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl phenethyl sulfide

8640-0701 Screening compound: 2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl phenethyl sulfide
8640-0701 Screening compound: 2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl phenethyl sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0701
2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl phenethyl sulfide

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

8640-0701

Molecular Formula

C28H25N3OS2 (C28 H25 N3 OS2)

Compound Name

2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl phenethyl sulfide

IUPAC name

44-dimethyl-8-phenyl-13-[(2-phenylethyl)sulfanyl]-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaene

SMILES

CC(C)(Cc1c2c3ncn4)OCc1c(-c1ccccc1)nc2sc3c4SCCc1ccccc1

InChI

InChI=1S/C28H25N3OS2/c1-28(2)15-20-21(16-32-28)23(19-11-7-4-8-12-19)31-26-22(20)24-25(34-26)27(30-17-29-24)33-14-13-18-9-5-3-6-10-18/h3-12,17H,13-16H2,1-2H3

InChI Key

SGGVEYSXYSQGNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04025939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.348

Distribution Coefficient, logD

7.348

Water Solubility, LogSw

-6.27

Polar Surface Area

38.231

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8640-0701 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8640-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0701?
Check Price and Availability of 8640-0701, 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 8640-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0701
  • 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 8640-0701 available by request