8013-2994 Screening compound: 3-chloro-2,4-dimethylpyrido[3'',2'':4',5']thieno[3',2':4,5][1,2,3]triazino[1,6-a][1,3]benzimidazole

8013-2994 Screening compound: 3-chloro-2,4-dimethylpyrido[3'',2'':4',5']thieno[3',2':4,5][1,2,3]triazino[1,6-a][1,3]benzimidazole
8013-2994 Screening compound: 3-chloro-2,4-dimethylpyrido[3'',2'':4',5']thieno[3',2':4,5][1,2,3]triazino[1,6-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2994
3-chloro-2,4-dimethylpyrido[3'',2'':4',5']thieno[3',2':4,5][1,2,3]triazino[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

8013-2994

Molecular Formula

C16H10ClN5S (C16 H10 ClN5 S)

Compound Name

3-chloro-2,4-dimethylpyrido[3'',2'':4',5']thieno[3',2':4,5][1,2,3]triazino[1,6-a][1,3]benzimidazole

IUPAC name

7-chloro-68-dimethyl-3-thia-511121320-pentaazapentacyclo[11.7.0.0^{210}.0^{49}.0^{1419}]icosa-1(20)2(10)4(9)571114(19)1517-nonaene

SMILES

Cc1c(c(nnn2c3nc4c2cccc4)c3s2)c2nc(C)c1Cl

InChI

InChI=1S/C16H10ClN5S/c1-7-11-13-14(23-16(11)18-8(2)12(7)17)15-19-9-5-3-4-6-10(9)22(15)21-20-13/h3-6H,1-2H3

InChI Key

QGBOVHNXYHTLLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-4.77

Polar Surface Area

42.466

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8013-2994 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 8013-2994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2994?
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What is the minimum amount of 8013-2994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2994
  • 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 8013-2994 available by request