L413-0078 Screening compound: 1-{5-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1H-indol-1-yl}propan-1-one

L413-0078 Screening compound: 1-{5-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1H-indol-1-yl}propan-1-one
L413-0078 Screening compound: 1-{5-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1H-indol-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L413-0078
1-{5-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1H-indol-1-yl}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

L413-0078

Molecular Formula

C29H31N3O2 (C29 H31 N3 O2)

Compound Name

1-{5-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1H-indol-1-yl}propan-1-one

IUPAC name

1-{5-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-23-dihydro-1H-indol-1-yl}propan-1-one

SMILES

CCC(N(CC1)c(cc2)c1cc2-c(cc1)ccc1C(N1CCN(Cc2ccccc2)CC1)=O)=O

InChI

InChI=1S/C29H31N3O2/c1-2-28(33)32-15-14-26-20-25(12-13-27(26)32)23-8-10-24(11-9-23)29(34)31-18-16-30(17-19-31)21-22-6-4-3-5-7-22/h3-13,20H,2,14-19,21H2,1H3

InChI Key

BDAHVUIWGNXKTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.303

Distribution Coefficient, logD

4.288

Water Solubility, LogSw

-4.24

Polar Surface Area

35.579

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

L413-0078 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

MCL1 Targeted Library (12200 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L413-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L413-0078?
Check Price and Availability of L413-0078, 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 L413-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L413-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L413-0078
  • 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 L413-0078 available by request