6280-0694 Screening compound: N~1~-(2-methoxyphenyl)-2-{[9-methyl-5-(methylsulfanyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide

6280-0694 Screening compound: N~1~-(2-methoxyphenyl)-2-{[9-methyl-5-(methylsulfanyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
6280-0694 Screening compound: N~1~-(2-methoxyphenyl)-2-{[9-methyl-5-(methylsulfanyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6280-0694
N~1~-(2-methoxyphenyl)-2-{[9-methyl-5-(methylsulfanyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-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

6280-0694

Molecular Formula

C21H22N6O2S3 (C21 H22 N6 O2 S3)

Compound Name

N~1~-(2-methoxyphenyl)-2-{[9-methyl-5-(methylsulfanyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide

IUPAC name

N-(2-methoxyphenyl)-2-{[13-methyl-7-(methylsulfanyl)-10-thia-346813-pentaazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaen-5-yl]sulfanyl}acetamide

SMILES

CN(CC1)Cc2c1c(c(n1c(SC)n3)nnc1SCC(Nc(cccc1)c1OC)=O)c3s2

InChI

InChI=1S/C21H22N6O2S3/c1-26-9-8-12-15(10-26)32-19-17(12)18-24-25-21(27(18)20(23-19)30-3)31-11-16(28)22-13-6-4-5-7-14(13)29-2/h4-7H,8-11H2,1-3H3,(H,22,28)

InChI Key

JNISJIUGSYZRSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03286175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.705

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-3.16

Polar Surface Area

68.516

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6280-0694 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 6280-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6280-0694?
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What is the minimum amount of 6280-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6280-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6280-0694
  • 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 6280-0694 available by request