8015-1162 Screening compound: 2-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenol

8015-1162 Screening compound: 2-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenol
8015-1162 Screening compound: 2-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1162
2-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenol

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

8015-1162

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

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

IUPAC name

2-{1213-diethoxy-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaen-7-yl}phenol

SMILES

CCOc(cc(CNC(c1cccn1-1)c(cccc2)c2O)c1c1)c1OCC

InChI

InChI=1S/C22H24N2O3/c1-3-26-20-12-15-14-23-22(16-8-5-6-10-19(16)25)17-9-7-11-24(17)18(15)13-21(20)27-4-2/h5-13,22-23,25H,3-4,14H2,1-2H3/t22-/m0/s1

InChI Key

DAPODDJDMXPSTE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03855636

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.326

Distribution Coefficient, logD

0.325

Water Solubility, LogSw

-3.26

Polar Surface Area

45.013

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

10.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8015-1162 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8015-1162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1162?
Check Price and Availability of 8015-1162, 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 8015-1162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1162
  • 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 8015-1162 available by request