F081-0956 Screening compound: 2,4-dichlorobenzyl (8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl) sulfide

F081-0956 Screening compound: 2,4-dichlorobenzyl (8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl) sulfide
F081-0956 Screening compound: 2,4-dichlorobenzyl (8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-0956
2,4-dichlorobenzyl (8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl) 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

F081-0956

Molecular Formula

C21H17Cl2N3OS2 (C21 H17 Cl2 N3 OS2)

Compound Name

2,4-dichlorobenzyl (8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl) sulfide

IUPAC name

15-{[(24-dichlorophenyl)methyl]sulfanyl}-55-dimethyl-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)1214-hexaene

SMILES

CC(C)(Cc1n2)OCc1cc1c2sc2c1ncnc2SCc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C21H17Cl2N3OS2/c1-21(2)7-16-12(8-27-21)5-14-17-18(29-19(14)26-16)20(25-10-24-17)28-9-11-3-4-13(22)6-15(11)23/h3-6,10H,7-9H2,1-2H3

InChI Key

QSTSJNMLSKHYPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04009413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.676

Distribution Coefficient, logD

6.671

Water Solubility, LogSw

-6.43

Polar Surface Area

39.233

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F081-0956 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with F081-0956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-0956?
Check Price and Availability of F081-0956, 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 F081-0956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-0956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-0956
  • 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 F081-0956 available by request