8017-6861 Screening compound: 7'-(trifluoromethyl)-5H-spiro[benzimidazo[1,2-c]quinazoline-6,3'-indol]-2'(1'H)-one

8017-6861 Screening compound: 7'-(trifluoromethyl)-5H-spiro[benzimidazo[1,2-c]quinazoline-6,3'-indol]-2'(1'H)-one
8017-6861 Screening compound: 7'-(trifluoromethyl)-5H-spiro[benzimidazo[1,2-c]quinazoline-6,3'-indol]-2'(1'H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6861
7'-(trifluoromethyl)-5H-spiro[benzimidazo[1,2-c]quinazoline-6,3'-indol]-2'(1'H)-one

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

8017-6861

Molecular Formula

C22H13F3N4O (C22 H13 F3 N4 O)

Compound Name

7'-(trifluoromethyl)-5H-spiro[benzimidazo[1,2-c]quinazoline-6,3'-indol]-2'(1'H)-one

IUPAC name

7-(trifluoromethyl)-12-dihydro-8'10'17'-triazaspiro[indole-39'-tetracyclo[8.7.0.0^{27}.0^{1116}]heptadecane]-1'(17')2'(7')3'5'11'13'15'-heptaen-2-one

SMILES

O=C1Nc2c(C(F)(F)F)cccc2C1(Nc1c-2cccc1)n1c2nc2c1cccc2

InChI

InChI=1S/C22H13F3N4O/c23-22(24,25)14-8-5-7-13-18(14)27-20(30)21(13)28-15-9-2-1-6-12(15)19-26-16-10-3-4-11-17(16)29(19)21/h1-11,28H,(H,27,30)/t21-/m0/s1

InChI Key

LBGJYVCNBVTCJE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06617393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.528

Distribution Coefficient, logD

4.528

Water Solubility, LogSw

-4.62

Polar Surface Area

45.256

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

8017-6861 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-6861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6861?
Check Price and Availability of 8017-6861, 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 8017-6861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6861
  • 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 8017-6861 available by request