4019-0021 Screening compound: 2-[4-(3-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-4-methylphenol

4019-0021 Screening compound: 2-[4-(3-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-4-methylphenol
4019-0021 Screening compound: 2-[4-(3-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-4-methylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4019-0021
2-[4-(3-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-4-methylphenol

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

4019-0021

Molecular Formula

C22H17BrN2O (C22 H17 BrN2 O)

Compound Name

2-[4-(3-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-4-methylphenol

IUPAC name

2-[4-(3-bromophenyl)-3H-15-benzodiazepin-2-yl]-4-methylphenol

SMILES

Cc(cc1)cc(C(C2)=Nc(cccc3)c3N=C2c2cccc(Br)c2)c1O

InChI

InChI=1S/C22H17BrN2O/c1-14-9-10-22(26)17(11-14)21-13-20(15-5-4-6-16(23)12-15)24-18-7-2-3-8-19(18)25-21/h2-12,26H,13H2,1H3

InChI Key

SNVPGUPZHCUTKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02993128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.29

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

6.111

Distribution Coefficient, logD

6.087

Water Solubility, LogSw

-5.64

Polar Surface Area

34.318

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4019-0021 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS Targets (44014 compounds)

Human Receptors Annotated Library (5376 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 4019-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4019-0021?
Check Price and Availability of 4019-0021, 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 4019-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4019-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4019-0021
  • 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 4019-0021 available by request