8015-0016 Screening compound: 4-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

8015-0016 Screening compound: 4-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
8015-0016 Screening compound: 4-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0016
4-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

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

8015-0016

Molecular Formula

C19H15F3N2 (C19 H15 F3 N2)

Compound Name

4-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

IUPAC name

7-[2-(trifluoromethyl)phenyl]-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaene

SMILES

FC(c1c(C2NCc(cccc3)c3-n3c2ccc3)cccc1)(F)F

InChI

InChI=1S/C19H15F3N2/c20-19(21,22)15-8-3-2-7-14(15)18-17-10-5-11-24(17)16-9-4-1-6-13(16)12-23-18/h1-11,18,23H,12H2/t18-/m1/s1

InChI Key

XQKNXKHZYXBGMR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03821567

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

328.34

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.453

Distribution Coefficient, logD

3.319

Water Solubility, LogSw

-4.62

Polar Surface Area

14.045

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.79

8015-0016 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8015-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0016?
Check Price and Availability of 8015-0016, 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 8015-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0016
  • 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 8015-0016 available by request