V005-1842 Screening compound: 4-dibenzo[b,f][1,4]oxazepin-11-yl-N~1~-phenyltetrahydro-1(2H)-pyrazinecarboxamide

V005-1842 Screening compound: 4-dibenzo[b,f][1,4]oxazepin-11-yl-N~1~-phenyltetrahydro-1(2H)-pyrazinecarboxamide
V005-1842 Screening compound: 4-dibenzo[b,f][1,4]oxazepin-11-yl-N~1~-phenyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-1842
4-dibenzo[b,f][1,4]oxazepin-11-yl-N~1~-phenyltetrahydro-1(2H)-pyrazinecarboxamide

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

V005-1842

Molecular Formula

C24H22N4O2 (C24 H22 N4 O2)

Compound Name

4-dibenzo[b,f][1,4]oxazepin-11-yl-N~1~-phenyltetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-{2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl}-N-phenylpiperazine-1-carboxamide

SMILES

O=C(Nc1ccccc1)N(CC1)CCN1C1=Nc(cccc2)c2Oc2c1cccc2

InChI

InChI=1S/C24H22N4O2/c29-24(25-18-8-2-1-3-9-18)28-16-14-27(15-17-28)23-19-10-4-6-12-21(19)30-22-13-7-5-11-20(22)26-23/h1-13H,14-17H2,(H,25,29)

InChI Key

ATKADKBCKFWYHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

3.459

Water Solubility, LogSw

-4.23

Polar Surface Area

43.539

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

V005-1842 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V005-1842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-1842?
Check Price and Availability of V005-1842, 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 V005-1842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-1842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-1842
  • 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 V005-1842 available by request