8014-2294 Screening compound: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenyl trifluoromethyl ether

8014-2294 Screening compound: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenyl trifluoromethyl ether
8014-2294 Screening compound: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenyl trifluoromethyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2294
4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenyl trifluoromethyl ether

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

8014-2294

Molecular Formula

C23H23F3N2O3 (C23 H23 F3 N2 O3)

Compound Name

4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenyl trifluoromethyl ether

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H23F3N2O3/c1-3-29-20-12-16-14-27-22(15-7-9-17(10-8-15)31-23(24,25)26)18-6-5-11-28(18)19(16)13-21(20)30-4-2/h5-13,22,27H,3-4,14H2,1-2H3/t22-/m1/s1

InChI Key

YSARIKOVGNZOPH-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03768243

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

432.44

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

4.644

Distribution Coefficient, logD

1.618

Water Solubility, LogSw

-4.41

Polar Surface Area

34.402

Acid Dissociation Constant (pKa)

25.51

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8014-2294 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8014-2294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2294?
Check Price and Availability of 8014-2294, 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 8014-2294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2294
  • 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 8014-2294 available by request