V004-2749 Screening compound: (3-fluorophenyl)[2-methyl-4-(7-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazino]methanone

V004-2749 Screening compound: (3-fluorophenyl)[2-methyl-4-(7-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazino]methanone
V004-2749 Screening compound: (3-fluorophenyl)[2-methyl-4-(7-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2749
(3-fluorophenyl)[2-methyl-4-(7-methyldibenzo[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

V004-2749

Molecular Formula

C26H24FN3O2 (C26 H24 FN3 O2)

Compound Name

(3-fluorophenyl)[2-methyl-4-(7-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazino]methanone

IUPAC name

10-[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]-5-methyl-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaene

SMILES

CC(CN(CC1)C2=Nc(ccc(C)c3)c3Oc3c2cccc3)N1C(c1cccc(F)c1)=O

InChI

InChI=1S/C26H24FN3O2/c1-17-10-11-22-24(14-17)32-23-9-4-3-8-21(23)25(28-22)29-12-13-30(18(2)16-29)26(31)19-6-5-7-20(27)15-19/h3-11,14-15,18H,12-13,16H2,1-2H3/t18-/m0/s1

InChI Key

JKGIXOPYYYVPAQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14282817

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

4.263

Water Solubility, LogSw

-4.65

Polar Surface Area

33.936

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V004-2749 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • 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 V004-2749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2749?
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What is the minimum amount of V004-2749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2749
  • 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 V004-2749 available by request