V003-4136 Screening compound: 3,3-dimethyl-1-{2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-1-butanone

V003-4136 Screening compound: 3,3-dimethyl-1-{2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-1-butanone
V003-4136 Screening compound: 3,3-dimethyl-1-{2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4136
3,3-dimethyl-1-{2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-1-butanone

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

V003-4136

Molecular Formula

C25H28F3N3O2 (C25 H28 F3 N3 O2)

Compound Name

3,3-dimethyl-1-{2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}-1-butanone

IUPAC name

33-dimethyl-1-{2-methyl-4-[5-(trifluoromethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl]piperazin-1-yl}butan-1-one

SMILES

CC(CN(CC1)C2=Nc(ccc(C(F)(F)F)c3)c3Oc3c2cccc3)N1C(CC(C)(C)C)=O

InChI

InChI=1S/C25H28F3N3O2/c1-16-15-30(11-12-31(16)22(32)14-24(2,3)4)23-18-7-5-6-8-20(18)33-21-13-17(25(26,27)28)9-10-19(21)29-23/h5-10,13,16H,11-12,14-15H2,1-4H3/t16-/m0/s1

InChI Key

SOBIQSXPBWVKKG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14282865

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

459.51

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

5.441

Distribution Coefficient, logD

4.926

Water Solubility, LogSw

-5.48

Polar Surface Area

33.681

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

V003-4136 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V003-4136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4136?
Check Price and Availability of V003-4136, 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 V003-4136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4136
  • 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 V003-4136 available by request