V017-6411 Screening compound: 11-{4-[(3-FLUOROPHENYL)SULFONYL]-3-METHYLPIPERAZINO}-7-METHYLDIBENZO[B,F][1,4]OXAZEPINE

V017-6411 Screening compound: 11-{4-[(3-FLUOROPHENYL)SULFONYL]-3-METHYLPIPERAZINO}-7-METHYLDIBENZO[B,F][1,4]OXAZEPINE
V017-6411 Screening compound: 11-{4-[(3-FLUOROPHENYL)SULFONYL]-3-METHYLPIPERAZINO}-7-METHYLDIBENZO[B,F][1,4]OXAZEPINE alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6411
11-{4-[(3-FLUOROPHENYL)SULFONYL]-3-METHYLPIPERAZINO}-7-METHYLDIBENZO[B,F][1,4]OXAZEPINE

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

V017-6411

Molecular Formula

C25H24FN3O3S (C25 H24 FN3 O3 S)

Compound Name

11-{4-[(3-FLUOROPHENYL)SULFONYL]-3-METHYLPIPERAZINO}-7-METHYLDIBENZO[B,F][1,4]OXAZEPINE

IUPAC name

n/a

SMILES

CC(CN(CC1)C2=Nc(ccc(C)c3)c3Oc3c2cccc3)N1S(c1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C25H24FN3O3S/c1-17-10-11-22-24(14-17)32-23-9-4-3-8-21(23)25(27-22)28-12-13-29(18(2)16-28)33(30,31)20-7-5-6-19(26)15-20/h3-11,14-15,18H,12-13,16H2,1-2H3/t18-/m0/s1

InChI Key

DXTRCVMEQXCXHV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14284211

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.784

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-4.65

Polar Surface Area

49.776

Acid Dissociation Constant (pKa)

25.89

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

V017-6411 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V017-6411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6411?
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What is the minimum amount of V017-6411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6411
  • 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 V017-6411 available by request