V004-3751 Screening compound: (2-chloro-3-pyridyl){2-methyl-4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone

V004-3751 Screening compound: (2-chloro-3-pyridyl){2-methyl-4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone
V004-3751 Screening compound: (2-chloro-3-pyridyl){2-methyl-4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3751
(2-chloro-3-pyridyl){2-methyl-4-[2-methyl-8-(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

V004-3751

Molecular Formula

C26H22ClF3N4O2 (C26 H22 ClF3 N4 O2)

Compound Name

(2-chloro-3-pyridyl){2-methyl-4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}methanone

IUPAC name

10-[4-(2-chloropyridine-3-carbonyl)-3-methylpiperazin-1-yl]-13-methyl-6-(trifluoromethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaene

SMILES

CC(CN(CC1)C2=Nc(cc(C(F)(F)F)cc3)c3Oc3c2cc(C)cc3)N1C(c1cccnc1Cl)=O

InChI

InChI=1S/C26H22ClF3N4O2/c1-15-5-7-21-19(12-15)24(32-20-13-17(26(28,29)30)6-8-22(20)36-21)33-10-11-34(16(2)14-33)25(35)18-4-3-9-31-23(18)27/h3-9,12-13,16H,10-11,14H2,1-2H3/t16-/m0/s1

InChI Key

CMEXNDDPQHCQFK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14283543

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

514.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.956

Distribution Coefficient, logD

4.463

Water Solubility, LogSw

-5.06

Polar Surface Area

43.622

Acid Dissociation Constant (pKa)

25.84

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.92

V004-3751 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-3751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3751?
Check Price and Availability of V004-3751, 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 V004-3751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3751
  • 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 V004-3751 available by request