V005-3967 Screening compound: N~1~-(3-chlorophenyl)-4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)tetrahydro-1(2H)-pyrazinecarboxamide

V005-3967 Screening compound: N~1~-(3-chlorophenyl)-4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)tetrahydro-1(2H)-pyrazinecarboxamide
V005-3967 Screening compound: N~1~-(3-chlorophenyl)-4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-3967
N~1~-(3-chlorophenyl)-4-(2-methoxydibenzo[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

V005-3967

Molecular Formula

C25H23ClN4O3 (C25 H23 ClN4 O3)

Compound Name

N~1~-(3-chlorophenyl)-4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

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

SMILES

COc(cc1)cc2c1Oc(cccc1)c1N=C2N(CC1)CCN1C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C25H23ClN4O3/c1-32-19-9-10-22-20(16-19)24(28-21-7-2-3-8-23(21)33-22)29-11-13-30(14-12-29)25(31)27-18-6-4-5-17(26)15-18/h2-10,15-16H,11-14H2,1H3,(H,27,31)

InChI Key

HHBAZRYNWXHFRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283877

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.907

Distribution Coefficient, logD

4.083

Water Solubility, LogSw

-4.92

Polar Surface Area

51.083

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V005-3967 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 V005-3967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-3967?
Check Price and Availability of V005-3967, 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 V005-3967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-3967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-3967
  • 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 V005-3967 available by request