C386-0060 Screening compound: N-(4-bromo-2-fluorophenyl)-2-(2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide

C386-0060 Screening compound: N-(4-bromo-2-fluorophenyl)-2-(2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide
C386-0060 Screening compound: N-(4-bromo-2-fluorophenyl)-2-(2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C386-0060
N-(4-bromo-2-fluorophenyl)-2-(2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide

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

C386-0060

Molecular Formula

C23H17BrFN3O2 (C23 H17 BrFN3 O2)

Compound Name

N-(4-bromo-2-fluorophenyl)-2-(2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-2-(2-oxo-5-phenyl-23-dihydro-1H-14-benzodiazepin-1-yl)acetamide

SMILES

O=C(CN(c(cccc1)c1C(c1ccccc1)=NC1)C1=O)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C23H17BrFN3O2/c24-16-10-11-19(18(25)12-16)27-21(29)14-28-20-9-5-4-8-17(20)23(26-13-22(28)30)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,27,29)

InChI Key

XRCOFXDACQSNTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-4.20

Polar Surface Area

46.393

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C386-0060 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C386-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C386-0060?
Check Price and Availability of C386-0060, 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 C386-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C386-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C386-0060
  • 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 C386-0060 available by request