V003-2445 Screening compound: 1-(1-benzothiophene-2-carbonyl)-4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazine

V003-2445 Screening compound: 1-(1-benzothiophene-2-carbonyl)-4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazine
V003-2445 Screening compound: 1-(1-benzothiophene-2-carbonyl)-4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2445
1-(1-benzothiophene-2-carbonyl)-4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]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

V003-2445

Molecular Formula

C29H29ClN2O3S (C29 H29 ClN2 O3 S)

Compound Name

1-(1-benzothiophene-2-carbonyl)-4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazine

IUPAC name

1-(1-benzothiophene-2-carbonyl)-4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazine

SMILES

COc1cccc(COC(CN(CC2)CCN2C(c2cc(cccc3)c3s2)=O)c(cc2)ccc2Cl)c1

InChI

InChI=1S/C29H29ClN2O3S/c1-34-25-7-4-5-21(17-25)20-35-26(22-9-11-24(30)12-10-22)19-31-13-15-32(16-14-31)29(33)28-18-23-6-2-3-8-27(23)36-28/h2-12,17-18,26H,13-16,19-20H2,1H3/t26-/m0/s1

InChI Key

YEHIUQHHZVVKCN-SANMLTNESA-N

MDL Number (MFCD)

MFCD19953393

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.08

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.108

Distribution Coefficient, logD

6.105

Water Solubility, LogSw

-6.53

Polar Surface Area

35.598

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

V003-2445 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V003-2445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2445?
Check Price and Availability of V003-2445, 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 V003-2445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2445
  • 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 V003-2445 available by request