V004-4832 Screening compound: 1-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine

V004-4832 Screening compound: 1-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine
V004-4832 Screening compound: 1-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4832
1-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine

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

V004-4832

Molecular Formula

C26H27ClF3N3O2 (C26 H27 ClF3 N3 O2)

Compound Name

1-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine

IUPAC name

1-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine

SMILES

Cn1c(C(N2CCN(CC(c(cc3)ccc3Cl)OCc3ccc(C(F)(F)F)cc3)CC2)=O)ccc1

InChI

InChI=1S/C26H27ClF3N3O2/c1-31-12-2-3-23(31)25(34)33-15-13-32(14-16-33)17-24(20-6-10-22(27)11-7-20)35-18-19-4-8-21(9-5-19)26(28,29)30/h2-12,24H,13-18H2,1H3/t24-/m0/s1

InChI Key

AVOMNIATOWRLAC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19954730

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.369

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-6.23

Polar Surface Area

29.724

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

V004-4832 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with V004-4832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4832?
Check Price and Availability of V004-4832, 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 V004-4832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4832
  • 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 V004-4832 available by request