V005-5010 Screening compound: 1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazino}-2,2-dimethyl-1-propanone

V005-5010 Screening compound: 1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazino}-2,2-dimethyl-1-propanone
V005-5010 Screening compound: 1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazino}-2,2-dimethyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-5010
1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazino}-2,2-dimethyl-1-propanone

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

V005-5010

Molecular Formula

C25H28F3N3O3 (C25 H28 F3 N3 O3)

Compound Name

1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazino}-2,2-dimethyl-1-propanone

IUPAC name

1-{4-[13-methoxy-6-(trifluoromethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl]-2-methylpiperazin-1-yl}-22-dimethylpropan-1-one

SMILES

CC(CN(CC1)C2=Nc(cc(C(F)(F)F)cc3)c3Oc(cc3)c2cc3OC)N1C(C(C)(C)C)=O

InChI

InChI=1S/C25H28F3N3O3/c1-15-14-30(10-11-31(15)23(32)24(2,3)4)22-18-13-17(33-5)7-9-20(18)34-21-8-6-16(25(26,27)28)12-19(21)29-22/h6-9,12-13,15H,10-11,14H2,1-5H3/t15-/m0/s1

InChI Key

MRQMMTGPYJUKNY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14283198

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.51

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

5.010

Distribution Coefficient, logD

4.078

Water Solubility, LogSw

-4.72

Polar Surface Area

41.752

Acid Dissociation Constant (pKa)

29.33

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

V005-5010 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS BBB Library (22607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V005-5010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-5010?
Check Price and Availability of V005-5010, 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 V005-5010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-5010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-5010
  • 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 V005-5010 available by request