8013-4071 Screening compound: 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

8013-4071 Screening compound: 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
8013-4071 Screening compound: 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4071
4-(3-chlorophenyl)-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

8013-4071

Molecular Formula

C18H15ClN2 (C18 H15 ClN2)

Compound Name

4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

IUPAC name

7-(3-chlorophenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaene

SMILES

Clc1cc(C2NCc(cccc3)c3-n3c2ccc3)ccc1

InChI

InChI=1S/C18H15ClN2/c19-15-7-3-6-13(11-15)18-17-9-4-10-21(17)16-8-2-1-5-14(16)12-20-18/h1-11,18,20H,12H2/t18-/m1/s1

InChI Key

FEPWBNKZJMBZST-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03766520

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

294.78

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

4.202

Distribution Coefficient, logD

2.463

Water Solubility, LogSw

-4.53

Polar Surface Area

14.045

Acid Dissociation Constant (pKa)

24.83

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

8013-4071 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-4071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4071?
Check Price and Availability of 8013-4071, 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 8013-4071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4071
  • 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 8013-4071 available by request