V004-7658 Screening compound: [4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazino][4-(trifluoromethyl)phenyl]methanone

V004-7658 Screening compound: [4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazino][4-(trifluoromethyl)phenyl]methanone
V004-7658 Screening compound: [4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazino][4-(trifluoromethyl)phenyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7658
[4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazino][4-(trifluoromethyl)phenyl]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

V004-7658

Molecular Formula

C27H24F3N3O3 (C27 H24 F3 N3 O3)

Compound Name

[4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazino][4-(trifluoromethyl)phenyl]methanone

IUPAC name

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

SMILES

CC(CN(CC1)C2=Nc(cccc3)c3Oc(cc3)c2cc3OC)N1C(c1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C27H24F3N3O3/c1-17-16-32(13-14-33(17)26(34)18-7-9-19(10-8-18)27(28,29)30)25-21-15-20(35-2)11-12-23(21)36-24-6-4-3-5-22(24)31-25/h3-12,15,17H,13-14,16H2,1-2H3/t17-/m0/s1

InChI Key

FAOXCWIGLZIXBF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14283117

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.5

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

5.251

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-5.07

Polar Surface Area

41.480

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V004-7658 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 V004-7658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7658?
Check Price and Availability of V004-7658, 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 V004-7658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7658
  • 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 V004-7658 available by request