L001-0033 Screening compound: N-(3-chloro-2-methylphenyl)-4-[3-(4-fluorobenzyl)-2-oxo-1-imidazolidinyl]tetrahydro-1(2H)-pyridinecarboxamide

L001-0033 Screening compound: N-(3-chloro-2-methylphenyl)-4-[3-(4-fluorobenzyl)-2-oxo-1-imidazolidinyl]tetrahydro-1(2H)-pyridinecarboxamide
L001-0033 Screening compound: N-(3-chloro-2-methylphenyl)-4-[3-(4-fluorobenzyl)-2-oxo-1-imidazolidinyl]tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L001-0033
N-(3-chloro-2-methylphenyl)-4-[3-(4-fluorobenzyl)-2-oxo-1-imidazolidinyl]tetrahydro-1(2H)-pyridinecarboxamide

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

L001-0033

Molecular Formula

C23H26ClFN4O2 (C23 H26 ClFN4 O2)

Compound Name

N-(3-chloro-2-methylphenyl)-4-[3-(4-fluorobenzyl)-2-oxo-1-imidazolidinyl]tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-4-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}piperidine-1-carboxamide

SMILES

Cc(c(NC(N(CC1)CCC1N(CCN1Cc(cc2)ccc2F)C1=O)=O)ccc1)c1Cl

InChI

InChI=1S/C23H26ClFN4O2/c1-16-20(24)3-2-4-21(16)26-22(30)27-11-9-19(10-12-27)29-14-13-28(23(29)31)15-17-5-7-18(25)8-6-17/h2-8,19H,9-15H2,1H3,(H,26,30)

InChI Key

KKLGNHOOIVESHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.567

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.44

Polar Surface Area

44.575

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

L001-0033 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L001-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L001-0033?
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What is the minimum amount of L001-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L001-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L001-0033
  • 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 L001-0033 available by request