8014-2326 Screening compound: 4-[4-(difluoromethoxy)phenyl]-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

8014-2326 Screening compound: 4-[4-(difluoromethoxy)phenyl]-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
8014-2326 Screening compound: 4-[4-(difluoromethoxy)phenyl]-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2326
4-[4-(difluoromethoxy)phenyl]-8,9-diethoxy-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

8014-2326

Molecular Formula

C23H24F2N2O3 (C23 H24 F2 N2 O3)

Compound Name

4-[4-(difluoromethoxy)phenyl]-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

IUPAC name

7-[4-(difluoromethoxy)phenyl]-1213-diethoxy-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaene

SMILES

CCOc(c(OCC)c1)cc(CNC2c(cc3)ccc3OC(F)F)c1-n1c2ccc1

InChI

InChI=1S/C23H24F2N2O3/c1-3-28-20-12-16-14-26-22(15-7-9-17(10-8-15)30-23(24)25)18-6-5-11-27(18)19(16)13-21(20)29-4-2/h5-13,22-23,26H,3-4,14H2,1-2H3/t22-/m1/s1

InChI Key

GJGRKIZTUVNDSX-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03768273

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

414.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

0.512

Water Solubility, LogSw

-3.68

Polar Surface Area

35.070

Acid Dissociation Constant (pKa)

25.51

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8014-2326 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8014-2326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2326?
Check Price and Availability of 8014-2326, 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 8014-2326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2326
  • 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 8014-2326 available by request