8015-2153 Screening compound: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenyl methyl ether

8015-2153 Screening compound: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenyl methyl ether
8015-2153 Screening compound: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2153
4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenyl methyl 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

8015-2153

Molecular Formula

C23H26N2O3 (C23 H26 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(CNC(c1cccn1-1)c(cc2)ccc2OC)c1c1)c1OCC

InChI

InChI=1S/C23H26N2O3/c1-4-27-21-13-17-15-24-23(16-8-10-18(26-3)11-9-16)19-7-6-12-25(19)20(17)14-22(21)28-5-2/h6-14,23-24H,4-5,15H2,1-3H3/t23-/m0/s1

InChI Key

UGUYYNKNGIVOOY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03856044

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

0.409

Water Solubility, LogSw

-3.63

Polar Surface Area

36.009

Acid Dissociation Constant (pKa)

25.51

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

8015-2153 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8015-2153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2153?
Check Price and Availability of 8015-2153, 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 8015-2153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2153
  • 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 8015-2153 available by request