8006-1542 Screening compound: benzyl N-{1-[(2,4-dimethylphenyl)carbamoyl]-2-phenylethyl}carbamate

8006-1542 Screening compound: benzyl N-{1-[(2,4-dimethylphenyl)carbamoyl]-2-phenylethyl}carbamate
8006-1542 Screening compound: benzyl N-{1-[(2,4-dimethylphenyl)carbamoyl]-2-phenylethyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1542
benzyl N-{1-[(2,4-dimethylphenyl)carbamoyl]-2-phenylethyl}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

8006-1542

Molecular Formula

C25H26N2O3 (C25 H26 N2 O3)

Compound Name

benzyl N-{1-[(2,4-dimethylphenyl)carbamoyl]-2-phenylethyl}carbamate

IUPAC name

benzyl N-{1-[(24-dimethylphenyl)carbamoyl]-2-phenylethyl}carbamate

SMILES

Cc(cc1)cc(C)c1NC(C(Cc1ccccc1)NC(OCc1ccccc1)=O)=O

InChI

InChI=1S/C25H26N2O3/c1-18-13-14-22(19(2)15-18)26-24(28)23(16-20-9-5-3-6-10-20)27-25(29)30-17-21-11-7-4-8-12-21/h3-15,23H,16-17H2,1-2H3,(H,26,28)(H,27,29)/t23-/m0/s1

InChI Key

GZVFHNAMQFJKRY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00823601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.756

Distribution Coefficient, logD

5.756

Water Solubility, LogSw

-5.48

Polar Surface Area

55.132

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8006-1542 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-1542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1542?
Check Price and Availability of 8006-1542, 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 8006-1542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1542
  • 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 8006-1542 available by request