V003-4150 Screening compound: 2-methyl-N~1~-(3-methylbenzyl)-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide

V003-4150 Screening compound: 2-methyl-N~1~-(3-methylbenzyl)-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide
V003-4150 Screening compound: 2-methyl-N~1~-(3-methylbenzyl)-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4150
2-methyl-N~1~-(3-methylbenzyl)-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

V003-4150

Molecular Formula

C28H27F3N4O2 (C28 H27 F3 N4 O2)

Compound Name

2-methyl-N~1~-(3-methylbenzyl)-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

2-methyl-N-[(3-methylphenyl)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(NCc1cc(C)ccc1)=O

InChI

InChI=1S/C28H27F3N4O2/c1-18-6-5-7-20(14-18)16-32-27(36)35-13-12-34(17-19(35)2)26-22-8-3-4-9-24(22)37-25-15-21(28(29,30)31)10-11-23(25)33-26/h3-11,14-15,19H,12-13,16-17H2,1-2H3,(H,32,36)/t19-/m0/s1

InChI Key

AFOLWUJQEKAOMZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14283767

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.757

Distribution Coefficient, logD

5.241

Water Solubility, LogSw

-5.61

Polar Surface Area

44.079

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V003-4150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4150?
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What is the minimum amount of V003-4150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4150
  • 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 V003-4150 available by request