V017-4761 Screening compound: 2-(3-methoxyphenyl)-1-[4-(2-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazino]-1-ethanone

V017-4761 Screening compound: 2-(3-methoxyphenyl)-1-[4-(2-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazino]-1-ethanone
V017-4761 Screening compound: 2-(3-methoxyphenyl)-1-[4-(2-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4761
2-(3-methoxyphenyl)-1-[4-(2-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazino]-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

V017-4761

Molecular Formula

C27H27N3O3 (C27 H27 N3 O3)

Compound Name

2-(3-methoxyphenyl)-1-[4-(2-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazino]-1-ethanone

IUPAC name

2-(3-methoxyphenyl)-1-(4-{13-methyl-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl}piperazin-1-yl)ethan-1-one

SMILES

Cc(cc1)cc2c1Oc(cccc1)c1N=C2N(CC1)CCN1C(Cc1cc(OC)ccc1)=O

InChI

InChI=1S/C27H27N3O3/c1-19-10-11-24-22(16-19)27(28-23-8-3-4-9-25(23)33-24)30-14-12-29(13-15-30)26(31)18-20-6-5-7-21(17-20)32-2/h3-11,16-17H,12-15,18H2,1-2H3

InChI Key

GQKBIHKWBOTPEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283463

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.53

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

4.464

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.54

Polar Surface Area

41.734

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V017-4761 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 V017-4761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4761?
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What is the minimum amount of V017-4761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4761
  • 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 V017-4761 available by request