V002-1896 Screening compound: 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine

V002-1896 Screening compound: 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine
V002-1896 Screening compound: 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1896
1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)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

V002-1896

Molecular Formula

C29H27ClF2N2O3 (C29 H27 ClF2 N2 O3)

Compound Name

1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine

IUPAC name

1-[2-(4-chlorophenyl)-2-[(26-difluorophenyl)methoxy]ethyl]-4-(3-methyl-1-benzofuran-2-carbonyl)piperazine

SMILES

Cc1c(C(N2CCN(CC(c(cc3)ccc3Cl)OCc(c(F)ccc3)c3F)CC2)=O)oc2c1cccc2

InChI

InChI=1S/C29H27ClF2N2O3/c1-19-22-5-2-3-8-26(22)37-28(19)29(35)34-15-13-33(14-16-34)17-27(20-9-11-21(30)12-10-20)36-18-23-24(31)6-4-7-25(23)32/h2-12,27H,13-18H2,1H3/t27-/m0/s1

InChI Key

IKDHYTPNOJASDH-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19954642

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

524.99

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

6.076

Distribution Coefficient, logD

6.074

Water Solubility, LogSw

-6.42

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

27.60

References: we are preparing a list of scientific research reports with V002-1896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1896?
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What is the minimum amount of V002-1896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1896
  • 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 V002-1896 available by request