V004-3808 Screening compound: 1-{4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-2-(2-thienyl)-1-ethanone

V004-3808 Screening compound: 1-{4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-2-(2-thienyl)-1-ethanone
V004-3808 Screening compound: 1-{4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-2-(2-thienyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3808
1-{4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-2-(2-thienyl)-1-ethanone

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

V004-3808

Molecular Formula

C25H22F3N3O2S (C25 H22 F3 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1Oc(ccc(C(F)(F)F)c1)c1N=C2N(CC1)CCN1C(Cc1cccs1)=O

InChI

InChI=1S/C25H22F3N3O2S/c1-16-4-6-21-19(13-16)24(29-20-14-17(25(26,27)28)5-7-22(20)33-21)31-10-8-30(9-11-31)23(32)15-18-3-2-12-34-18/h2-7,12-14H,8-11,15H2,1H3

InChI Key

PSJAOOCLCKYGPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283526

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.736

Distribution Coefficient, logD

4.038

Water Solubility, LogSw

-4.55

Polar Surface Area

35.209

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V004-3808 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • 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 V004-3808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3808?
Check Price and Availability of V004-3808, 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 V004-3808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3808
  • 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 V004-3808 available by request