L001-0072 Screening compound: methyl 3-[(4-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}piperidine-1-carbonyl)amino]benzoate

L001-0072 Screening compound: methyl 3-[(4-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}piperidine-1-carbonyl)amino]benzoate
L001-0072 Screening compound: methyl 3-[(4-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}piperidine-1-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L001-0072
methyl 3-[(4-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}piperidine-1-carbonyl)amino]benzoate

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

L001-0072

Molecular Formula

C24H27FN4O4 (C24 H27 FN4 O4)

Compound Name

methyl 3-[(4-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}piperidine-1-carbonyl)amino]benzoate

IUPAC name

methyl 3-[(4-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}piperidine-1-carbonyl)amino]benzoate

SMILES

COC(c1cccc(NC(N(CC2)CCC2N(CCN2Cc(cc3)ccc3F)C2=O)=O)c1)=O

InChI

InChI=1S/C24H27FN4O4/c1-33-22(30)18-3-2-4-20(15-18)26-23(31)27-11-9-21(10-12-27)29-14-13-28(24(29)32)16-17-5-7-19(25)8-6-17/h2-8,15,21H,9-14,16H2,1H3,(H,26,31)

InChI Key

QSQUSMOCIHMKDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-3.88

Polar Surface Area

66.447

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L001-0072 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L001-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L001-0072?
Check Price and Availability of L001-0072, 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 L001-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L001-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L001-0072
  • 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 L001-0072 available by request