V004-6982 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-(1-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propan-1-one

V004-6982 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-(1-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propan-1-one
V004-6982 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-(1-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6982
1-(4-benzylpiperazin-1-yl)-3-(1-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)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

V004-6982

Molecular Formula

C31H35N3O (C31 H35 N3 O)

Compound Name

1-(4-benzylpiperazin-1-yl)-3-(1-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propan-1-one

IUPAC name

1-(4-benzylpiperazin-1-yl)-3-(1-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propan-1-one

SMILES

CCn1c(cccc2)c2c(C(CC(N2CCN(Cc3ccccc3)CC2)=O)c2ccc(C)cc2)c1

InChI

InChI=1S/C31H35N3O/c1-3-33-23-29(27-11-7-8-12-30(27)33)28(26-15-13-24(2)14-16-26)21-31(35)34-19-17-32(18-20-34)22-25-9-5-4-6-10-25/h4-16,23,28H,3,17-22H2,1-2H3/t28-/m1/s1

InChI Key

AMLCKLJSAYHJNW-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19848535

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.64

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.227

Distribution Coefficient, logD

5.194

Water Solubility, LogSw

-5.11

Polar Surface Area

21.357

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

V004-6982 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V004-6982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6982?
Check Price and Availability of V004-6982, 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 V004-6982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6982
  • 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 V004-6982 available by request