8014-2350 Screening compound: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile

8014-2350 Screening compound: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile
8014-2350 Screening compound: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2350
4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile

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

8014-2350

Molecular Formula

C23H23N3O2 (C23 H23 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(CNC(c1cccn1-1)c(cc2)ccc2C#N)c1c1)c1OCC

InChI

InChI=1S/C23H23N3O2/c1-3-27-21-12-18-15-25-23(17-9-7-16(14-24)8-10-17)19-6-5-11-26(19)20(18)13-22(21)28-4-2/h5-13,23,25H,3-4,15H2,1-2H3/t23-/m0/s1

InChI Key

OPHMJADRAWNKTP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03768295

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

373.45

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

3.108

Distribution Coefficient, logD

0.316

Water Solubility, LogSw

-3.25

Polar Surface Area

45.522

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

10.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.09

8014-2350 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8014-2350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2350?
Check Price and Availability of 8014-2350, 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 8014-2350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2350
  • 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 8014-2350 available by request