8011-7279 Screening compound: 2-(methoxymethyl)-4-methyl-6-propylpyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazole

8011-7279 Screening compound: 2-(methoxymethyl)-4-methyl-6-propylpyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazole
8011-7279 Screening compound: 2-(methoxymethyl)-4-methyl-6-propylpyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7279
2-(methoxymethyl)-4-methyl-6-propylpyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazole

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

8011-7279

Molecular Formula

C21H20N4OS (C21 H20 N4 OS)

Compound Name

2-(methoxymethyl)-4-methyl-6-propylpyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazole

IUPAC name

6-(methoxymethyl)-8-methyl-12-propyl-3-thia-5111320-tetraazapentacyclo[11.7.0.0^{210}.0^{49}.0^{1419}]icosa-1(20)2(10)4(9)571114(19)1517-nonaene

SMILES

CCCc(n1c2nc3c1cccc3)nc1c2sc2nc(COC)cc(C)c12

InChI

InChI=1S/C21H20N4OS/c1-4-7-16-24-18-17-12(2)10-13(11-26-3)22-21(17)27-19(18)20-23-14-8-5-6-9-15(14)25(16)20/h5-6,8-10H,4,7,11H2,1-3H3

InChI Key

HBAPMKIMFIOIQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.451

Distribution Coefficient, logD

5.338

Water Solubility, LogSw

-5.66

Polar Surface Area

36.894

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8011-7279 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8011-7279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7279?
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What is the minimum amount of 8011-7279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7279
  • 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 8011-7279 available by request