V024-6801 Screening compound: benzyl N-(8-chloro-11-morpholinodibenzo[b,f][1,4]oxazepin-2-yl)carbamate

V024-6801 Screening compound: benzyl N-(8-chloro-11-morpholinodibenzo[b,f][1,4]oxazepin-2-yl)carbamate
V024-6801 Screening compound: benzyl N-(8-chloro-11-morpholinodibenzo[b,f][1,4]oxazepin-2-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-6801
benzyl N-(8-chloro-11-morpholinodibenzo[b,f][1,4]oxazepin-2-yl)carbamate

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

V024-6801

Molecular Formula

C25H22ClN3O4 (C25 H22 ClN3 O4)

Compound Name

benzyl N-(8-chloro-11-morpholinodibenzo[b,f][1,4]oxazepin-2-yl)carbamate

IUPAC name

benzyl N-[6-chloro-10-(morpholin-4-yl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-13-yl]carbamate

SMILES

O=C(Nc(cc1)cc2c1Oc(ccc(Cl)c1)c1N=C2N1CCOCC1)OCc1ccccc1

InChI

InChI=1S/C25H22ClN3O4/c26-18-6-8-23-21(14-18)28-24(29-10-12-31-13-11-29)20-15-19(7-9-22(20)33-23)27-25(30)32-16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H,27,30)

InChI Key

PDXWECJRTSOVIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14265859

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.119

Distribution Coefficient, logD

5.052

Water Solubility, LogSw

-5.43

Polar Surface Area

57.718

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V024-6801 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V024-6801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-6801?
Check Price and Availability of V024-6801, 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 V024-6801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-6801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-6801
  • 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 V024-6801 available by request