8640-0667 Screening compound: 4-bromobenzyl (2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl) sulfide

8640-0667 Screening compound: 4-bromobenzyl (2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl) sulfide
8640-0667 Screening compound: 4-bromobenzyl (2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0667
4-bromobenzyl (2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-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

8640-0667

Molecular Formula

C22H20BrN3OS2 (C22 H20 BrN3 OS2)

Compound Name

4-bromobenzyl (2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl) sulfide

IUPAC name

13-{[(4-bromophenyl)methyl]sulfanyl}-448-trimethyl-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)(C1)OCc(c(C)n2)c1c1c2sc2c1ncnc2SCc(cc1)ccc1Br

InChI

InChI=1S/C22H20BrN3OS2/c1-12-16-9-27-22(2,3)8-15(16)17-18-19(29-20(17)26-12)21(25-11-24-18)28-10-13-4-6-14(23)7-5-13/h4-7,11H,8-10H2,1-3H3

InChI Key

SMXJCOSTQFSDBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03688436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.46

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

6.186

Distribution Coefficient, logD

6.186

Water Solubility, LogSw

-6.03

Polar Surface Area

38.309

Acid Dissociation Constant (pKa)

21.28

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8640-0667 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 8640-0667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0667?
Check Price and Availability of 8640-0667, 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 8640-0667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0667
  • 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 8640-0667 available by request