8010-5861 Screening compound: 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol

8010-5861 Screening compound: 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol
8010-5861 Screening compound: 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5861
2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol

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

8010-5861

Molecular Formula

C21H16N2O (C21 H16 N2 O)

Compound Name

2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol

IUPAC name

2-(4-phenyl-3H-15-benzodiazepin-2-yl)phenol

SMILES

Oc(cccc1)c1C(C1)=Nc(cccc2)c2N=C1c1ccccc1

InChI

InChI=1S/C21H16N2O/c24-21-13-7-4-10-16(21)20-14-19(15-8-2-1-3-9-15)22-17-11-5-6-12-18(17)23-20/h1-13,24H,14H2

InChI Key

KAHVHCFQIWBPBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.775

Distribution Coefficient, logD

4.717

Water Solubility, LogSw

-4.15

Polar Surface Area

34.318

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8010-5861 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8010-5861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5861?
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What is the minimum amount of 8010-5861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5861
  • 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 8010-5861 available by request