V001-9725 Screening compound: 4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-N-(cyclohexylmethyl)piperazine-1-carboxamide

V001-9725 Screening compound: 4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-N-(cyclohexylmethyl)piperazine-1-carboxamide
V001-9725 Screening compound: 4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-N-(cyclohexylmethyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-9725
4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-N-(cyclohexylmethyl)piperazine-1-carboxamide

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

V001-9725

Molecular Formula

C28H38ClN3O3 (C28 H38 ClN3 O3)

Compound Name

4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-N-(cyclohexylmethyl)piperazine-1-carboxamide

IUPAC name

4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-N-(cyclohexylmethyl)piperazine-1-carboxamide

SMILES

COc1cccc(C(CN(CC2)CCN2C(NCC2CCCCC2)=O)OCc2cccc(Cl)c2)c1

InChI

InChI=1S/C28H38ClN3O3/c1-34-26-12-6-10-24(18-26)27(35-21-23-9-5-11-25(29)17-23)20-31-13-15-32(16-14-31)28(33)30-19-22-7-3-2-4-8-22/h5-6,9-12,17-18,22,27H,2-4,7-8,13-16,19-21H2,1H3,(H,30,33)/t27-/m0/s1

InChI Key

UJWPXCXBWQRRSM-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19971400

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.08

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.518

Distribution Coefficient, logD

5.430

Water Solubility, LogSw

-5.97

Polar Surface Area

45.187

Acid Dissociation Constant (pKa)

16.10

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.60

V001-9725 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V001-9725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-9725?
Check Price and Availability of V001-9725, 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 V001-9725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-9725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-9725
  • 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 V001-9725 available by request