L413-0082 Screening compound: 1-{5-[4-(4-propylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1H-indol-1-yl}propan-1-one

L413-0082 Screening compound: 1-{5-[4-(4-propylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1H-indol-1-yl}propan-1-one
L413-0082 Screening compound: 1-{5-[4-(4-propylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1H-indol-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L413-0082
1-{5-[4-(4-propylpiperazine-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

L413-0082

Molecular Formula

C25H31N3O2 (C25 H31 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CC1)CCN1C(c(cc1)ccc1-c(cc1)cc(CC2)c1N2C(CC)=O)=O

InChI

InChI=1S/C25H31N3O2/c1-3-12-26-14-16-27(17-15-26)25(30)20-7-5-19(6-8-20)21-9-10-23-22(18-21)11-13-28(23)24(29)4-2/h5-10,18H,3-4,11-17H2,1-2H3

InChI Key

RDNZNCBTSIPQMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

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

3.617

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-3.78

Polar Surface Area

35.829

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

L413-0082 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

CNS Targets (44014 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L413-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L413-0082?
Check Price and Availability of L413-0082, 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 L413-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L413-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L413-0082
  • 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 L413-0082 available by request