V002-1874 Screening compound: 1-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine

V002-1874 Screening compound: 1-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine
V002-1874 Screening compound: 1-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1874
1-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]-4-(3-methyl-1-benzofuran-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

V002-1874

Molecular Formula

C30H31ClN2O3 (C30 H31 ClN2 O3)

Compound Name

1-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine

IUPAC name

1-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine

SMILES

Cc1c(C(N2CCN(CC(c(cc3)ccc3Cl)OCc3cc(C)ccc3)CC2)=O)oc2c1cccc2

InChI

InChI=1S/C30H31ClN2O3/c1-21-6-5-7-23(18-21)20-35-28(24-10-12-25(31)13-11-24)19-32-14-16-33(17-15-32)30(34)29-22(2)26-8-3-4-9-27(26)36-29/h3-13,18,28H,14-17,19-20H2,1-2H3/t28-/m0/s1

InChI Key

CBZIOLHAKKNXAR-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19954726

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.515

Distribution Coefficient, logD

6.512

Water Solubility, LogSw

-6.46

Polar Surface Area

35.834

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

V002-1874 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 V002-1874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1874?
Check Price and Availability of V002-1874, 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 V002-1874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1874
  • 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 V002-1874 available by request