L881-0555 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl}-4-fluorobenzamide

L881-0555 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl}-4-fluorobenzamide
L881-0555 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L881-0555
N-{2-[4-(2,3-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

L881-0555

Molecular Formula

C29H29FN4O2 (C29 H29 FN4 O2)

Compound Name

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

IUPAC name

N-{2-[4-(23-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl}-4-fluorobenzamide

SMILES

Cc(cc1)cc2c1[nH]c(C(N(CC1)CCN1c1c(C)c(C)ccc1)=O)c2NC(c(cc1)ccc1F)=O

InChI

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

InChI Key

UTUXFQXPXSCKPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590911

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

5.079

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-5.02

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

L881-0555 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L881-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L881-0555?
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What is the minimum amount of L881-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L881-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L881-0555
  • 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 L881-0555 available by request