8013-5600 Screening compound: 4-(2,3-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

8013-5600 Screening compound: 4-(2,3-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
8013-5600 Screening compound: 4-(2,3-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5600
4-(2,3-difluorophenyl)-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

8013-5600

Molecular Formula

C18H14F2N2 (C18 H14 F2 N2)

Compound Name

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

IUPAC name

7-(23-difluorophenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaene

SMILES

Fc(cccc1C2NCc(cccc3)c3-n3c2ccc3)c1F

InChI

InChI=1S/C18H14F2N2/c19-14-7-3-6-13(17(14)20)18-16-9-4-10-22(16)15-8-2-1-5-12(15)11-21-18/h1-10,18,21H,11H2/t18-/m1/s1

InChI Key

XEZKNBOSTNZURO-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03766697

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

296.32

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

3.939

Distribution Coefficient, logD

2.481

Water Solubility, LogSw

-4.23

Polar Surface Area

14.045

Acid Dissociation Constant (pKa)

24.83

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

8013-5600 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-5600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5600?
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What is the minimum amount of 8013-5600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5600
  • 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 8013-5600 available by request