V028-6156 Screening compound: N~1~-(3-chlorophenyl)-4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)tetrahydro-1(2H)-pyrazinecarboxamide

V028-6156 Screening compound: N~1~-(3-chlorophenyl)-4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)tetrahydro-1(2H)-pyrazinecarboxamide
V028-6156 Screening compound: N~1~-(3-chlorophenyl)-4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6156
N~1~-(3-chlorophenyl)-4-(4-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

V028-6156

Molecular Formula

C25H23ClN4O3 (C25 H23 ClN4 O3)

Compound Name

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

IUPAC name

N-(3-chlorophenyl)-4-{15-methoxy-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl}piperazine-1-carboxamide

SMILES

COc1cccc2c1Oc(cccc1)c1N=C2N(CC1)CCN1C(Nc1cccc(Cl)c1)=O

InChI

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

InChI Key

FGRQXWLWRKRPHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284009

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

4.593

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-4.70

Polar Surface Area

50.854

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V028-6156 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V028-6156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6156?
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What is the minimum amount of V028-6156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6156
  • 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 V028-6156 available by request