L332-0088 Screening compound: methyl 2-{[(2-{1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl}ethyl)carbamoyl]amino}-4-methylbenzoate

L332-0088 Screening compound: methyl 2-{[(2-{1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl}ethyl)carbamoyl]amino}-4-methylbenzoate
L332-0088 Screening compound: methyl 2-{[(2-{1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl}ethyl)carbamoyl]amino}-4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L332-0088
methyl 2-{[(2-{1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl}ethyl)carbamoyl]amino}-4-methylbenzoate

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

L332-0088

Molecular Formula

C24H29ClN4O4 (C24 H29 ClN4 O4)

Compound Name

methyl 2-{[(2-{1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl}ethyl)carbamoyl]amino}-4-methylbenzoate

IUPAC name

methyl 2-{[(2-{1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl}ethyl)carbamoyl]amino}-4-methylbenzoate

SMILES

Cc(cc1)cc(NC(NCCC(CC2)CCN2C(Nc2cccc(Cl)c2)=O)=O)c1C(OC)=O

InChI

InChI=1S/C24H29ClN4O4/c1-16-6-7-20(22(30)33-2)21(14-16)28-23(31)26-11-8-17-9-12-29(13-10-17)24(32)27-19-5-3-4-18(25)15-19/h3-7,14-15,17H,8-13H2,1-2H3,(H,27,32)(H2,26,28,31)

InChI Key

IDRAUXNAEBRXJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15124533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.317

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.48

Polar Surface Area

79.650

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L332-0088 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L332-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L332-0088?
Check Price and Availability of L332-0088, 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 L332-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L332-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L332-0088
  • 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 L332-0088 available by request