F081-0963 Screening compound: 2-chlorobenzyl (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

F081-0963 Screening compound: 2-chlorobenzyl (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
F081-0963 Screening compound: 2-chlorobenzyl (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 F081-0963
2-chlorobenzyl (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

F081-0963

Molecular Formula

C21H18ClN3OS2 (C21 H18 ClN3 OS2)

Compound Name

2-chlorobenzyl (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-{[(2-chlorophenyl)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(cccc1)c1Cl

InChI

InChI=1S/C21H18ClN3OS2/c1-21(2)8-16-13(9-26-21)7-14-17-18(28-19(14)25-16)20(24-11-23-17)27-10-12-5-3-4-6-15(12)22/h3-7,11H,8-10H2,1-2H3

InChI Key

XCKLSLQZJJTDAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04029520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.98

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

5.926

Distribution Coefficient, logD

5.922

Water Solubility, LogSw

-6.11

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

F081-0963 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 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 F081-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-0963?
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What is the minimum amount of F081-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-0963
  • 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 F081-0963 available by request