V004-2498 Screening compound: N~1~-(3-fluorophenyl)-2-methyl-4-[8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide

V004-2498 Screening compound: N~1~-(3-fluorophenyl)-2-methyl-4-[8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide
V004-2498 Screening compound: N~1~-(3-fluorophenyl)-2-methyl-4-[8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2498
N~1~-(3-fluorophenyl)-2-methyl-4-[8-(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

V004-2498

Molecular Formula

C26H22F4N4O2 (C26 H22 F4 N4 O2)

Compound Name

N~1~-(3-fluorophenyl)-2-methyl-4-[8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-(3-fluorophenyl)-2-methyl-4-[6-(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(cc(C(F)(F)F)cc3)c3Oc3c2cccc3)N1C(Nc1cccc(F)c1)=O

InChI

InChI=1S/C26H22F4N4O2/c1-16-15-33(11-12-34(16)25(35)31-19-6-4-5-18(27)14-19)24-20-7-2-3-8-22(20)36-23-10-9-17(26(28,29)30)13-21(23)32-24/h2-10,13-14,16H,11-12,15H2,1H3,(H,31,35)/t16-/m0/s1

InChI Key

LAKOXCNPXNRJOD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14283687

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.48

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

5.383

Distribution Coefficient, logD

4.939

Water Solubility, LogSw

-5.51

Polar Surface Area

42.757

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V004-2498 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 V004-2498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2498?
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What is the minimum amount of V004-2498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2498
  • 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 V004-2498 available by request