D264-0555 Screening compound: ethyl 3-{[({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)carbamoyl]amino}benzoate

D264-0555 Screening compound: ethyl 3-{[({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)carbamoyl]amino}benzoate
D264-0555 Screening compound: ethyl 3-{[({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D264-0555
ethyl 3-{[({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)carbamoyl]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

D264-0555

Molecular Formula

C23H28ClN3O3 (C23 H28 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1cccc(NC(NCC2CCN(Cc(cccc3)c3Cl)CC2)=O)c1)=O

InChI

InChI=1S/C23H28ClN3O3/c1-2-30-22(28)18-7-5-8-20(14-18)26-23(29)25-15-17-10-12-27(13-11-17)16-19-6-3-4-9-21(19)24/h3-9,14,17H,2,10-13,15-16H2,1H3,(H2,25,26,29)

InChI Key

AFMWENCNMVNGIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.223

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-5.76

Polar Surface Area

58.350

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D264-0555 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D264-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D264-0555?
Check Price and Availability of D264-0555, 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 D264-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D264-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D264-0555
  • 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 D264-0555 available by request