2730-0645 Screening compound: 2-(3,4-dimethoxyphenyl)-8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

2730-0645 Screening compound: 2-(3,4-dimethoxyphenyl)-8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2730-0645 Screening compound: 2-(3,4-dimethoxyphenyl)-8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2730-0645
2-(3,4-dimethoxyphenyl)-8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

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

2730-0645

Molecular Formula

C22H25N5O2S (C22 H25 N5 O2 S)

Compound Name

2-(3,4-dimethoxyphenyl)-8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-(34-dimethoxyphenyl)-12121414-tetramethyl-10-thia-356813-pentaazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

CC(C)(C1)NC(C)(C)c2c1c(c1nc(-c(cc3)cc(OC)c3OC)nn1cn1)c1s2

InChI

InChI=1S/C22H25N5O2S/c1-21(2)10-13-16-19-24-18(12-7-8-14(28-5)15(9-12)29-6)25-27(19)11-23-20(16)30-17(13)22(3,4)26-21/h7-9,11,26H,10H2,1-6H3

InChI Key

ISYUZMBSRMYBTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.858

Distribution Coefficient, logD

3.780

Water Solubility, LogSw

-4.41

Polar Surface Area

60.116

Acid Dissociation Constant (pKa)

24.42

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

2730-0645 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2730-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2730-0645?
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What is the minimum amount of 2730-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2730-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2730-0645
  • 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 2730-0645 available by request