V028-5299 Screening compound: 3-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepane-1-carbonyl]benzonitrile

V028-5299 Screening compound: 3-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepane-1-carbonyl]benzonitrile
V028-5299 Screening compound: 3-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepane-1-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5299
3-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepane-1-carbonyl]benzonitrile

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

V028-5299

Molecular Formula

C27H23N5O (C27 H23 N5 O)

Compound Name

3-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepane-1-carbonyl]benzonitrile

IUPAC name

3-[4-(3-phenylquinoxalin-2-yl)-14-diazepane-1-carbonyl]benzonitrile

SMILES

N#Cc1cccc(C(N(CCC2)CCN2c2nc3ccccc3nc2-c2ccccc2)=O)c1

InChI

InChI=1S/C27H23N5O/c28-19-20-8-6-11-22(18-20)27(33)32-15-7-14-31(16-17-32)26-25(21-9-2-1-3-10-21)29-23-12-4-5-13-24(23)30-26/h1-6,8-13,18H,7,14-17H2

InChI Key

HXEPYYUGFPNYFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955449

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.45

Polar Surface Area

54.899

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.52

V028-5299 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V028-5299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5299?
Check Price and Availability of V028-5299, 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 V028-5299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5299
  • 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 V028-5299 available by request