8018-9373 Screening compound: benzyl N-(2-phenyl-1-{[(pyridin-3-yl)methyl]carbamoyl}ethyl)carbamate

8018-9373 Screening compound: benzyl N-(2-phenyl-1-{[(pyridin-3-yl)methyl]carbamoyl}ethyl)carbamate
8018-9373 Screening compound: benzyl N-(2-phenyl-1-{[(pyridin-3-yl)methyl]carbamoyl}ethyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9373
benzyl N-(2-phenyl-1-{[(pyridin-3-yl)methyl]carbamoyl}ethyl)carbamate

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

8018-9373

Molecular Formula

C23H23N3O3 (C23 H23 N3 O3)

Compound Name

benzyl N-(2-phenyl-1-{[(pyridin-3-yl)methyl]carbamoyl}ethyl)carbamate

IUPAC name

benzyl N-(2-phenyl-1-{[(pyridin-3-yl)methyl]carbamoyl}ethyl)carbamate

SMILES

O=C(C(Cc1ccccc1)NC(OCc1ccccc1)=O)NCc1cnccc1

InChI

InChI=1S/C23H23N3O3/c27-22(25-16-20-12-7-13-24-15-20)21(14-18-8-3-1-4-9-18)26-23(28)29-17-19-10-5-2-6-11-19/h1-13,15,21H,14,16-17H2,(H,25,27)(H,26,28)/t21-/m0/s1

InChI Key

HSWNEUOZGGQBPB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06668077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.097

Distribution Coefficient, logD

3.095

Water Solubility, LogSw

-2.95

Polar Surface Area

66.670

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

8018-9373 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Proteases
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-9373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9373?
Check Price and Availability of 8018-9373, 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 8018-9373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9373
  • 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 8018-9373 available by request