V005-4815 Screening compound: methyl 3-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-3-oxopropanoate

V005-4815 Screening compound: methyl 3-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-3-oxopropanoate
V005-4815 Screening compound: methyl 3-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-3-oxopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-4815
methyl 3-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-3-oxopropanoate

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

V005-4815

Molecular Formula

C23H22F3N3O5 (C23 H22 F3 N3 O5)

Compound Name

methyl 3-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-3-oxopropanoate

IUPAC name

methyl 3-{4-[13-methoxy-6-(trifluoromethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl]piperazin-1-yl}-3-oxopropanoate

SMILES

COC(CC(N(CC1)CCN1C1=Nc(cc(C(F)(F)F)cc2)c2Oc(cc2)c1cc2OC)=O)=O

InChI

InChI=1S/C23H22F3N3O5/c1-32-15-4-6-18-16(12-15)22(27-17-11-14(23(24,25)26)3-5-19(17)34-18)29-9-7-28(8-10-29)20(30)13-21(31)33-2/h3-6,11-12H,7-10,13H2,1-2H3

InChI Key

FLYCRBSWEXNRKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283190

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.915

Distribution Coefficient, logD

1.729

Water Solubility, LogSw

-3.45

Polar Surface Area

62.585

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

V005-4815 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V005-4815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-4815?
Check Price and Availability of V005-4815, 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 V005-4815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-4815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-4815
  • 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 V005-4815 available by request