V003-4188 Screening compound: N~1~-cyclohexyl-2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide

V003-4188 Screening compound: N~1~-cyclohexyl-2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide
V003-4188 Screening compound: N~1~-cyclohexyl-2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4188
N~1~-cyclohexyl-2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide

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

V003-4188

Molecular Formula

C26H29F3N4O2 (C26 H29 F3 N4 O2)

Compound Name

N~1~-cyclohexyl-2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-cyclohexyl-2-methyl-4-[5-(trifluoromethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl]piperazine-1-carboxamide

SMILES

CC(CN(CC1)C2=Nc(ccc(C(F)(F)F)c3)c3Oc3c2cccc3)N1C(NC1CCCCC1)=O

InChI

InChI=1S/C26H29F3N4O2/c1-17-16-32(13-14-33(17)25(34)30-19-7-3-2-4-8-19)24-20-9-5-6-10-22(20)35-23-15-18(26(27,28)29)11-12-21(23)31-24/h5-6,9-12,15,17,19H,2-4,7-8,13-14,16H2,1H3,(H,30,34)/t17-/m0/s1

InChI Key

OPCJUTLSRRUBPT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14283756

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

486.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.666

Distribution Coefficient, logD

5.151

Water Solubility, LogSw

-5.46

Polar Surface Area

43.805

Acid Dissociation Constant (pKa)

17.43

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

V003-4188 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with V003-4188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4188?
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What is the minimum amount of V003-4188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4188
  • 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 V003-4188 available by request