L881-0553 Screening compound: N-{2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl}-4-fluorobenzamide

L881-0553 Screening compound: N-{2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl}-4-fluorobenzamide
L881-0553 Screening compound: N-{2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L881-0553
N-{2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl}-4-fluorobenzamide

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

L881-0553

Molecular Formula

C29H29FN4O2 (C29 H29 FN4 O2)

Compound Name

N-{2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl}-4-fluorobenzamide

IUPAC name

N-{2-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl}-4-fluorobenzamide

SMILES

Cc(cc1)cc2c1[nH]c(C(N(CC1)CCN1c1c(C)ccc(C)c1)=O)c2NC(c(cc1)ccc1F)=O

InChI

InChI=1S/C29H29FN4O2/c1-18-5-11-24-23(16-18)26(32-28(35)21-7-9-22(30)10-8-21)27(31-24)29(36)34-14-12-33(13-15-34)25-17-19(2)4-6-20(25)3/h4-11,16-17,31H,12-15H2,1-3H3,(H,32,35)

InChI Key

IEYUYDSEDXVWRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.114

Distribution Coefficient, logD

4.150

Water Solubility, LogSw

-5.07

Polar Surface Area

51.661

Acid Dissociation Constant (pKa)

6.49

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

L881-0553 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L881-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L881-0553?
Check Price and Availability of L881-0553, 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 L881-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L881-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L881-0553
  • 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 L881-0553 available by request