V017-0456 Screening compound: 1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-1-butanone

V017-0456 Screening compound: 1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-1-butanone
V017-0456 Screening compound: 1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-0456
1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-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

V017-0456

Molecular Formula

C26H33N3O3 (C26 H33 N3 O3)

Compound Name

1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-1-butanone

IUPAC name

1-(4-{14-methoxy-5-methyl-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl}-14-diazepan-1-yl)-33-dimethylbutan-1-one

SMILES

CC(C)(C)CC(N(CCC1)CCN1C1=Nc(ccc(C)c2)c2Oc2c1ccc(OC)c2)=O

InChI

InChI=1S/C26H33N3O3/c1-18-7-10-21-23(15-18)32-22-16-19(31-5)8-9-20(22)25(27-21)29-12-6-11-28(13-14-29)24(30)17-26(2,3)4/h7-10,15-16H,6,11-14,17H2,1-5H3

InChI Key

XUWAXIDQLYMUNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283049

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

435.57

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

4.984

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-4.70

Polar Surface Area

42.337

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

8.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

V017-0456 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 V017-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-0456?
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What is the minimum amount of V017-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-0456
  • 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 V017-0456 available by request