8640-0670 Screening compound: N~1~-(2-pyridyl)-2-[(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)sulfanyl]acetamide

8640-0670 Screening compound: N~1~-(2-pyridyl)-2-[(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)sulfanyl]acetamide
8640-0670 Screening compound: N~1~-(2-pyridyl)-2-[(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)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0670
N~1~-(2-pyridyl)-2-[(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)sulfanyl]acetamide

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

8640-0670

Molecular Formula

C22H21N5O2S2 (C22 H21 N5 O2 S2)

Compound Name

N~1~-(2-pyridyl)-2-[(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)sulfanyl]acetamide

IUPAC name

N-(pyridin-2-yl)-2-({448-trimethyl-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-yl}sulfanyl)acetamide

SMILES

CC(C)(Cc1c2c3ncn4)OCc1c(C)nc2sc3c4SCC(Nc1ncccc1)=O

InChI

InChI=1S/C22H21N5O2S2/c1-12-14-9-29-22(2,3)8-13(14)17-18-19(31-20(17)26-12)21(25-11-24-18)30-10-16(28)27-15-6-4-5-7-23-15/h4-7,11H,8-10H2,1-3H3,(H,23,27,28)

InChI Key

QBVIPZIJRGDZNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03688082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.359

Distribution Coefficient, logD

4.359

Water Solubility, LogSw

-4.62

Polar Surface Area

71.073

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8640-0670 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8640-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0670?
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What is the minimum amount of 8640-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0670
  • 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 8640-0670 available by request