8019-9051 Screening compound: 2-methyl-6-(trifluoromethyl)pyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazole

8019-9051 Screening compound: 2-methyl-6-(trifluoromethyl)pyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazole
8019-9051 Screening compound: 2-methyl-6-(trifluoromethyl)pyrido[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 8019-9051
2-methyl-6-(trifluoromethyl)pyrido[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

8019-9051

Molecular Formula

C17H9F3N4S (C17 H9 F3 N4 S)

Compound Name

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

IUPAC name

6-methyl-12-(trifluoromethyl)-3-thia-5111320-tetraazapentacyclo[11.7.0.0^{210}.0^{49}.0^{1419}]icosa-1(20)2(10)4681114(19)1517-nonaene

SMILES

Cc1ccc(c(nc(C(F)(F)F)n2c3nc4c2cccc4)c3s2)c2n1

InChI

InChI=1S/C17H9F3N4S/c1-8-6-7-9-12-13(25-15(9)21-8)14-22-10-4-2-3-5-11(10)24(14)16(23-12)17(18,19)20/h2-7H,1H3

InChI Key

PWPGVDQJDZHLGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.300

Distribution Coefficient, logD

4.904

Water Solubility, LogSw

-5.66

Polar Surface Area

26.805

Acid Dissociation Constant (pKa)

28.97

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8019-9051 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-9051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9051?
Check Price and Availability of 8019-9051, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8019-9051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9051
  • 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 8019-9051 available by request