V005-4851 Screening compound: (2,4-difluorophenyl){4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone

V005-4851 Screening compound: (2,4-difluorophenyl){4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone
V005-4851 Screening compound: (2,4-difluorophenyl){4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-4851
(2,4-difluorophenyl){4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone

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

V005-4851

Molecular Formula

C26H20F5N3O3 (C26 H20 F5 N3 O3)

Compound Name

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

IUPAC name

10-[4-(24-difluorobenzoyl)piperazin-1-yl]-13-methoxy-6-(trifluoromethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaene

SMILES

COc(cc1)cc2c1Oc(ccc(C(F)(F)F)c1)c1N=C2N(CC1)CCN1C(c(ccc(F)c1)c1F)=O

InChI

InChI=1S/C26H20F5N3O3/c1-36-17-4-7-22-19(14-17)24(32-21-12-15(26(29,30)31)2-6-23(21)37-22)33-8-10-34(11-9-33)25(35)18-5-3-16(27)13-20(18)28/h2-7,12-14H,8-11H2,1H3

InChI Key

KHLKCJSTBKSCIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283191

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.071

Distribution Coefficient, logD

3.886

Water Solubility, LogSw

-4.79

Polar Surface Area

42.262

Acid Dissociation Constant (pKa)

28.72

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V005-4851 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V005-4851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-4851?
Check Price and Availability of V005-4851, 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 V005-4851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-4851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-4851
  • 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 V005-4851 available by request