1070-0020 Screening compound: 1-benzyl-5-(4-benzylpiperazine-1-carbonyl)-2,3-dimethyl-1H-indole

1070-0020 Screening compound: 1-benzyl-5-(4-benzylpiperazine-1-carbonyl)-2,3-dimethyl-1H-indole
1070-0020 Screening compound: 1-benzyl-5-(4-benzylpiperazine-1-carbonyl)-2,3-dimethyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1070-0020
1-benzyl-5-(4-benzylpiperazine-1-carbonyl)-2,3-dimethyl-1H-indole

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

1070-0020

Molecular Formula

C29H31N3O (C29 H31 N3 O)

Compound Name

1-benzyl-5-(4-benzylpiperazine-1-carbonyl)-2,3-dimethyl-1H-indole

IUPAC name

1-benzyl-5-(4-benzylpiperazine-1-carbonyl)-23-dimethyl-1H-indole

SMILES

Cc1c(C)n(Cc2ccccc2)c(cc2)c1cc2C(N1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C29H31N3O/c1-22-23(2)32(21-25-11-7-4-8-12-25)28-14-13-26(19-27(22)28)29(33)31-17-15-30(16-18-31)20-24-9-5-3-6-10-24/h3-14,19H,15-18,20-21H2,1-2H3

InChI Key

NVAGGRBLSDEQHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00322628

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

437.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

4.885

Water Solubility, LogSw

-4.70

Polar Surface Area

21.628

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

1070-0020 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1070-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1070-0020?
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What is the minimum amount of 1070-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1070-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1070-0020
  • 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 1070-0020 available by request