V007-5944 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-phenoxyphenyl)propan-1-one

V007-5944 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-phenoxyphenyl)propan-1-one
V007-5944 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-phenoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-5944
3-(1-benzyl-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-phenoxyphenyl)propan-1-one

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

V007-5944

Molecular Formula

C41H39N3O3 (C41 H39 N3 O3)

Compound Name

3-(1-benzyl-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-phenoxyphenyl)propan-1-one

IUPAC name

3-(1-benzyl-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-phenoxyphenyl)propan-1-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(CC(c1cn(Cc2ccccc2)c2c1cccc2)c1cc(Oc2ccccc2)ccc1)=O

InChI

InChI=1S/C41H39N3O3/c1-46-40-22-11-10-21-39(40)42-23-25-43(26-24-42)41(45)28-36(32-15-12-18-34(27-32)47-33-16-6-3-7-17-33)37-30-44(29-31-13-4-2-5-14-31)38-20-9-8-19-35(37)38/h2-22,27,30,36H,23-26,28-29H2,1H3/t36-/m1/s1

InChI Key

SNKPVZUZKGHCBT-PSXMRANNSA-N

MDL Number (MFCD)

MFCD19741617

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

621.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.027

Distribution Coefficient, logD

8.026

Water Solubility, LogSw

-5.88

Polar Surface Area

35.157

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.50

V007-5944 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V007-5944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-5944?
Check Price and Availability of V007-5944, 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 V007-5944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-5944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-5944
  • 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 V007-5944 available by request