V020-5600 Screening compound: 1-[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)piperazino]-2-phenyl-1-butanone

V020-5600 Screening compound: 1-[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)piperazino]-2-phenyl-1-butanone
V020-5600 Screening compound: 1-[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)piperazino]-2-phenyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-5600
1-[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)piperazino]-2-phenyl-1-butanone

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

V020-5600

Molecular Formula

C28H29N3O3 (C28 H29 N3 O3)

Compound Name

1-[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)piperazino]-2-phenyl-1-butanone

IUPAC name

1-(4-{15-methoxy-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl}piperazin-1-yl)-2-phenylbutan-1-one

SMILES

CCC(C(N(CC1)CCN1C1=Nc(cccc2)c2Oc2c1cccc2OC)=O)c1ccccc1

InChI

InChI=1S/C28H29N3O3/c1-3-21(20-10-5-4-6-11-20)28(32)31-18-16-30(17-19-31)27-22-12-9-15-25(33-2)26(22)34-24-14-8-7-13-23(24)29-27/h4-15,21H,3,16-19H2,1-2H3/t21-/m1/s1

InChI Key

JJQKAISMXXDNCO-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD13268361

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.657

Distribution Coefficient, logD

3.936

Water Solubility, LogSw

-4.50

Polar Surface Area

42.033

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V020-5600 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 V020-5600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-5600?
Check Price and Availability of V020-5600, 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 V020-5600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-5600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-5600
  • 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 V020-5600 available by request