V003-4172 Screening compound: (4-chlorophenyl){2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone

V003-4172 Screening compound: (4-chlorophenyl){2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone
V003-4172 Screening compound: (4-chlorophenyl){2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4172
(4-chlorophenyl){2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone

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

V003-4172

Molecular Formula

C26H21ClF3N3O2 (C26 H21 ClF3 N3 O2)

Compound Name

(4-chlorophenyl){2-methyl-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone

IUPAC name

10-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaene

SMILES

CC(CN(CC1)C2=Nc(ccc(C(F)(F)F)c3)c3Oc3c2cccc3)N1C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H21ClF3N3O2/c1-16-15-32(12-13-33(16)25(34)17-6-9-19(27)10-7-17)24-20-4-2-3-5-22(20)35-23-14-18(26(28,29)30)8-11-21(23)31-24/h2-11,14,16H,12-13,15H2,1H3/t16-/m0/s1

InChI Key

MRVALMMYEXGCSE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14282860

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.737

Distribution Coefficient, logD

5.221

Water Solubility, LogSw

-5.98

Polar Surface Area

33.936

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V003-4172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4172?
Check Price and Availability of V003-4172, 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 V003-4172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4172
  • 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 V003-4172 available by request