V018-0448 Screening compound: N-{4-[(2H-13-BENZODIOXOL-5-YL)METHYL]-2-ETHYL-3-OXO-2345-TETRAHYDRO-14-BENZOXAZEPIN-7-YL}-2H-13-BENZODIOXOLE-5-CARBOXAMIDE

V018-0448 Screening compound: N-{4-[(2H-13-BENZODIOXOL-5-YL)METHYL]-2-ETHYL-3-OXO-2345-TETRAHYDRO-14-BENZOXAZEPIN-7-YL}-2H-13-BENZODIOXOLE-5-CARBOXAMIDE
V018-0448 Screening compound: N-{4-[(2H-13-BENZODIOXOL-5-YL)METHYL]-2-ETHYL-3-OXO-2345-TETRAHYDRO-14-BENZOXAZEPIN-7-YL}-2H-13-BENZODIOXOLE-5-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0448
N-{4-[(2H-13-BENZODIOXOL-5-YL)METHYL]-2-ETHYL-3-OXO-2345-TETRAHYDRO-14-BENZOXAZEPIN-7-YL}-2H-13-BENZODIOXOLE-5-CARBOXAMIDE

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

V018-0448

Molecular Formula

C27H24N2O7 (C27 H24 N2 O7)

Compound Name

N-{4-[(2H-13-BENZODIOXOL-5-YL)METHYL]-2-ETHYL-3-OXO-2345-TETRAHYDRO-14-BENZOXAZEPIN-7-YL}-2H-13-BENZODIOXOLE-5-CARBOXAMIDE

IUPAC name

N-{4-[(2H-13-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

CCC(C(N(Cc(cc1)cc2c1OCO2)C1)=O)Oc(cc2)c1cc2NC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C27H24N2O7/c1-2-20-27(31)29(12-16-3-6-22-24(9-16)34-14-32-22)13-18-10-19(5-8-21(18)36-20)28-26(30)17-4-7-23-25(11-17)35-15-33-23/h3-11,20H,2,12-15H2,1H3,(H,28,30)/t20-/m0/s1

InChI Key

PAYKDHLJDVPOAW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19849218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.330

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.31

Polar Surface Area

82.097

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.93

References: we are preparing a list of scientific research reports with V018-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0448?
Check Price and Availability of V018-0448, 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 V018-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0448
  • 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 V018-0448 available by request