8015-3938 Screening compound: 6-(2-methyl-1H-1,3-benzimidazol-1-yl)-3-(1,1,2,2,2-pentafluoroethyl)[1,2,4]triazolo[3,4-a]phthalazine

8015-3938 Screening compound: 6-(2-methyl-1H-1,3-benzimidazol-1-yl)-3-(1,1,2,2,2-pentafluoroethyl)[1,2,4]triazolo[3,4-a]phthalazine
8015-3938 Screening compound: 6-(2-methyl-1H-1,3-benzimidazol-1-yl)-3-(1,1,2,2,2-pentafluoroethyl)[1,2,4]triazolo[3,4-a]phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3938
6-(2-methyl-1H-1,3-benzimidazol-1-yl)-3-(1,1,2,2,2-pentafluoroethyl)[1,2,4]triazolo[3,4-a]phthalazine

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

8015-3938

Molecular Formula

C19H11F5N6 (C19 H11 F5 N6)

Compound Name

6-(2-methyl-1H-1,3-benzimidazol-1-yl)-3-(1,1,2,2,2-pentafluoroethyl)[1,2,4]triazolo[3,4-a]phthalazine

IUPAC name

2-methyl-1-[3-(11222-pentafluoroethyl)-[124]triazolo[34-a]phthalazin-6-yl]-1H-13-benzodiazole

SMILES

Cc1nc(cccc2)c2n1-c(c1c2cccc1)nn1c2nnc1C(C(F)(F)F)(F)F

InChI

InChI=1S/C19H11F5N6/c1-10-25-13-8-4-5-9-14(13)29(10)16-12-7-3-2-6-11(12)15-26-27-17(30(15)28-16)18(20,21)19(22,23)24/h2-9H,1H3

InChI Key

VIWSOHCKTOSPPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.208

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.36

Polar Surface Area

44.325

Acid Dissociation Constant (pKa)

32.63

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

8015-3938 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8015-3938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3938?
Check Price and Availability of 8015-3938, 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 8015-3938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3938
  • 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 8015-3938 available by request