V005-4850 Screening compound: (3-methoxyphenyl){4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone

V005-4850 Screening compound: (3-methoxyphenyl){4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone
V005-4850 Screening compound: (3-methoxyphenyl){4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-4850
(3-methoxyphenyl){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

V005-4850

Molecular Formula

C27H24F3N3O4 (C27 H24 F3 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(N(CC2)CCN2C2=Nc(cc(C(F)(F)F)cc3)c3Oc(cc3)c2cc3OC)=O)c1

InChI

InChI=1S/C27H24F3N3O4/c1-35-19-5-3-4-17(14-19)26(34)33-12-10-32(11-13-33)25-21-16-20(36-2)7-9-23(21)37-24-8-6-18(27(28,29)30)15-22(24)31-25/h3-9,14-16H,10-13H2,1-2H3

InChI Key

MLCANGRUESRCNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283183

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.593

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-4.48

Polar Surface Area

49.806

Acid Dissociation Constant (pKa)

28.95

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V005-4850 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 V005-4850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-4850?
Check Price and Availability of V005-4850, 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 V005-4850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-4850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-4850
  • 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 V005-4850 available by request