L740-0821 Screening compound: N-(4-bromophenyl)-4-({[(2-fluorophenyl)methyl]carbamoyl}methyl)-3-oxopiperazine-1-carboxamide

L740-0821 Screening compound: N-(4-bromophenyl)-4-({[(2-fluorophenyl)methyl]carbamoyl}methyl)-3-oxopiperazine-1-carboxamide
L740-0821 Screening compound: N-(4-bromophenyl)-4-({[(2-fluorophenyl)methyl]carbamoyl}methyl)-3-oxopiperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L740-0821
N-(4-bromophenyl)-4-({[(2-fluorophenyl)methyl]carbamoyl}methyl)-3-oxopiperazine-1-carboxamide

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

L740-0821

Molecular Formula

C20H20BrFN4O3 (C20 H20 BrFN4 O3)

Compound Name

N-(4-bromophenyl)-4-({[(2-fluorophenyl)methyl]carbamoyl}methyl)-3-oxopiperazine-1-carboxamide

IUPAC name

N-(4-bromophenyl)-4-({[(2-fluorophenyl)methyl]carbamoyl}methyl)-3-oxopiperazine-1-carboxamide

SMILES

O=C(CN(CCN(C1)C(Nc(cc2)ccc2Br)=O)C1=O)NCc(cccc1)c1F

InChI

InChI=1S/C20H20BrFN4O3/c21-15-5-7-16(8-6-15)24-20(29)26-10-9-25(19(28)13-26)12-18(27)23-11-14-3-1-2-4-17(14)22/h1-8H,9-13H2,(H,23,27)(H,24,29)

InChI Key

JRFGYRUSZMLTOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27473460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.10

Polar Surface Area

66.817

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L740-0821 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with L740-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L740-0821?
Check Price and Availability of L740-0821, 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 L740-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L740-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L740-0821
  • 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 L740-0821 available by request