8014-2268 Screening compound: 4-(9H-fluoren-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

8014-2268 Screening compound: 4-(9H-fluoren-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
8014-2268 Screening compound: 4-(9H-fluoren-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2268
4-(9H-fluoren-2-yl)-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

8014-2268

Molecular Formula

C25H20N2 (C25 H20 N2)

Compound Name

4-(9H-fluoren-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

IUPAC name

7-(9H-fluoren-2-yl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaene

SMILES

C1c(cc(C2NCc(cccc3)c3-n3c2ccc3)cc2)c2-c2c1cccc2

InChI

InChI=1S/C25H20N2/c1-3-8-21-17(6-1)14-20-15-18(11-12-22(20)21)25-24-10-5-13-27(24)23-9-4-2-7-19(23)16-26-25/h1-13,15,25-26H,14,16H2/t25-/m1/s1

InChI Key

XKELCQNIGDHOON-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03768225

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

348.45

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.621

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-6.36

Polar Surface Area

14.060

Acid Dissociation Constant (pKa)

22.58

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

8014-2268 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8014-2268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2268?
Check Price and Availability of 8014-2268, 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 8014-2268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2268
  • 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 8014-2268 available by request