8014-2325 Screening compound: 4-(2-phenylpropyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

8014-2325 Screening compound: 4-(2-phenylpropyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
8014-2325 Screening compound: 4-(2-phenylpropyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2325
4-(2-phenylpropyl)-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

8014-2325

Molecular Formula

C21H22N2 (C21 H22 N2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1NCc(cccc2)c2-n2c1ccc2)c1ccccc1

InChI

InChI=1S/C21H22N2/c1-16(17-8-3-2-4-9-17)14-19-21-12-7-13-23(21)20-11-6-5-10-18(20)15-22-19/h2-13,16,19,22H,14-15H2,1H3

InChI Key

VKQLZBAUQXLBJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768272

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

302.42

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.876

Distribution Coefficient, logD

2.257

Water Solubility, LogSw

-4.47

Polar Surface Area

14.151

Acid Dissociation Constant (pKa)

23.15

Base Dissociation Constant (pKb)

10.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

8014-2325 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Epigenetics Focused Set (26518 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-2325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2325?
Check Price and Availability of 8014-2325, 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 8014-2325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2325
  • 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 8014-2325 available by request