V020-6546 Screening compound: 3-{[4-(2-METHOXYDIBENZO[B,F][1,4]OXAZEPIN-11-YL)PIPERAZINO]CARBONYL}BENZONITRILE

V020-6546 Screening compound: 3-{[4-(2-METHOXYDIBENZO[B,F][1,4]OXAZEPIN-11-YL)PIPERAZINO]CARBONYL}BENZONITRILE
V020-6546 Screening compound: 3-{[4-(2-METHOXYDIBENZO[B,F][1,4]OXAZEPIN-11-YL)PIPERAZINO]CARBONYL}BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-6546
3-{[4-(2-METHOXYDIBENZO[B,F][1,4]OXAZEPIN-11-YL)PIPERAZINO]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

V020-6546

Molecular Formula

C26H22N4O3 (C26 H22 N4 O3)

Compound Name

3-{[4-(2-METHOXYDIBENZO[B,F][1,4]OXAZEPIN-11-YL)PIPERAZINO]CARBONYL}BENZONITRILE

IUPAC name

n/a

SMILES

COc(cc1)cc2c1Oc(cccc1)c1N=C2N(CC1)CCN1C(c1cc(C#N)ccc1)=O

InChI

InChI=1S/C26H22N4O3/c1-32-20-9-10-23-21(16-20)25(28-22-7-2-3-8-24(22)33-23)29-11-13-30(14-12-29)26(31)19-6-4-5-18(15-19)17-27/h2-10,15-16H,11-14H2,1H3

InChI Key

NGMRPKAODOXCTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283099

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

2.506

Water Solubility, LogSw

-3.84

Polar Surface Area

59.318

Acid Dissociation Constant (pKa)

28.95

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V020-6546 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V020-6546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-6546?
Check Price and Availability of V020-6546, 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 V020-6546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-6546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-6546
  • 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 V020-6546 available by request