8008-9826 Screening compound: 8-(2-methoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

8008-9826 Screening compound: 8-(2-methoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8008-9826 Screening compound: 8-(2-methoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9826
8-(2-methoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

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

8008-9826

Molecular Formula

C25H20N6O5S (C25 H20 N6 O5 S)

Compound Name

8-(2-methoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

IUPAC name

8-(2-methoxy-4-{[(4Z)-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]methyl}phenoxy)-137-trimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(Oc(ccc(/C=C2\Sc3nc(cccc4)c4n3C2=O)c2)c2OC)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C25H20N6O5S/c1-28-19-20(29(2)25(34)30(3)22(19)33)27-23(28)36-16-10-9-13(11-17(16)35-4)12-18-21(32)31-15-8-6-5-7-14(15)26-24(31)37-18/h5-12H,1-4H3

InChI Key

MXNNJPAWNWFNJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.92

Polar Surface Area

82.765

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8008-9826 in Drug Discovery

Included in Screening Libraries

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 8008-9826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9826?
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What is the minimum amount of 8008-9826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9826
  • 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 8008-9826 available by request