V021-6928 Screening compound: N~1~-(3-fluorophenyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyltetrahydro-1(2H)-pyrazinecarboxamide

V021-6928 Screening compound: N~1~-(3-fluorophenyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyltetrahydro-1(2H)-pyrazinecarboxamide
V021-6928 Screening compound: N~1~-(3-fluorophenyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6928
N~1~-(3-fluorophenyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyltetrahydro-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

V021-6928

Molecular Formula

C27H24F4N4O3 (C27 H24 F4 N4 O3)

Compound Name

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

IUPAC name

N-(3-fluorophenyl)-4-[13-methoxy-6-(trifluoromethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl]-2-methylpiperazine-1-carboxamide

SMILES

CC(CN(CC1)C2=Nc(cc(C(F)(F)F)cc3)c3Oc(cc3)c2cc3OC)N1C(Nc1cccc(F)c1)=O

InChI

InChI=1S/C27H24F4N4O3/c1-16-15-34(10-11-35(16)26(36)32-19-5-3-4-18(28)13-19)25-21-14-20(37-2)7-9-23(21)38-24-8-6-17(27(29,30)31)12-22(24)33-25/h3-9,12-14,16H,10-11,15H2,1-2H3,(H,32,36)/t16-/m0/s1

InChI Key

IEXPCKSCCMOOJJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14283952

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

528.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.517

Distribution Coefficient, logD

4.585

Water Solubility, LogSw

-5.50

Polar Surface Area

50.301

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V021-6928 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 V021-6928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6928?
Check Price and Availability of V021-6928, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V021-6928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6928
  • 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 V021-6928 available by request