V003-1965 Screening compound: 1-[bis(4-chlorophenyl)methyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine

V003-1965 Screening compound: 1-[bis(4-chlorophenyl)methyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine
V003-1965 Screening compound: 1-[bis(4-chlorophenyl)methyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1965
1-[bis(4-chlorophenyl)methyl]-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

V003-1965

Molecular Formula

C27H24Cl2N2O2 (C27 H24 Cl2 N2 O2)

Compound Name

1-[bis(4-chlorophenyl)methyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine

IUPAC name

1-[bis(4-chlorophenyl)methyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine

SMILES

Cc1c(C(N(CC2)CCN2C(c(cc2)ccc2Cl)c(cc2)ccc2Cl)=O)oc2c1cccc2

InChI

InChI=1S/C27H24Cl2N2O2/c1-18-23-4-2-3-5-24(23)33-26(18)27(32)31-16-14-30(15-17-31)25(19-6-10-21(28)11-7-19)20-8-12-22(29)13-9-20/h2-13,25H,14-17H2,1H3

InChI Key

RYHUFJYRXDACHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19962985

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

479.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.924

Distribution Coefficient, logD

6.924

Water Solubility, LogSw

-6.56

Polar Surface Area

27.974

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V003-1965 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V003-1965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1965?
Check Price and Availability of V003-1965, 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 V003-1965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1965
  • 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 V003-1965 available by request