L881-0894 Screening compound: N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl}-3-methylbenzamide

L881-0894 Screening compound: N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl}-3-methylbenzamide
L881-0894 Screening compound: N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L881-0894
N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl}-3-methylbenzamide

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

L881-0894

Molecular Formula

C27H25FN4O2 (C27 H25 FN4 O2)

Compound Name

N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl}-3-methylbenzamide

IUPAC name

N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl}-3-methylbenzamide

SMILES

Cc1cccc(C(Nc2c(C(N(CC3)CCN3c(cc3)ccc3F)=O)[nH]c3c2cccc3)=O)c1

InChI

InChI=1S/C27H25FN4O2/c1-18-5-4-6-19(17-18)26(33)30-24-22-7-2-3-8-23(22)29-25(24)27(34)32-15-13-31(14-16-32)21-11-9-20(28)10-12-21/h2-12,17,29H,13-16H2,1H3,(H,30,33)

InChI Key

OGEAERFWICXHPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

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

3.979

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-4.13

Polar Surface Area

51.962

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

L881-0894 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 L881-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L881-0894?
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What is the minimum amount of L881-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L881-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L881-0894
  • 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 L881-0894 available by request