8014-8716 Screening compound: 4-[4-(difluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

8014-8716 Screening compound: 4-[4-(difluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
8014-8716 Screening compound: 4-[4-(difluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8716
4-[4-(difluoromethoxy)phenyl]-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

8014-8716

Molecular Formula

C19H16F2N2O (C19 H16 F2 N2 O)

Compound Name

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

IUPAC name

7-[4-(difluoromethoxy)phenyl]-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaene

SMILES

FC(Oc1ccc(C2NCc(cccc3)c3-n3c2ccc3)cc1)F

InChI

InChI=1S/C19H16F2N2O/c20-19(21)24-15-9-7-13(8-10-15)18-17-6-3-11-23(17)16-5-2-1-4-14(16)12-22-18/h1-11,18-19,22H,12H2/t18-/m1/s1

InChI Key

ZSYHUMPZUKLEDK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03820562

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

326.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

1.740

Water Solubility, LogSw

-3.58

Polar Surface Area

20.650

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.79

8014-8716 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-8716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8716?
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What is the minimum amount of 8014-8716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8716
  • 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 8014-8716 available by request