8006-6948 Screening compound: benzyl N-{1-[(3,4-dimethylphenyl)carbamoyl]ethyl}carbamate

8006-6948 Screening compound: benzyl N-{1-[(3,4-dimethylphenyl)carbamoyl]ethyl}carbamate
8006-6948 Screening compound: benzyl N-{1-[(3,4-dimethylphenyl)carbamoyl]ethyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6948
benzyl N-{1-[(3,4-dimethylphenyl)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

8006-6948

Molecular Formula

C19H22N2O3 (C19 H22 N2 O3)

Compound Name

benzyl N-{1-[(3,4-dimethylphenyl)carbamoyl]ethyl}carbamate

IUPAC name

benzyl N-{1-[(34-dimethylphenyl)carbamoyl]ethyl}carbamate

SMILES

CC(C(Nc1cc(C)c(C)cc1)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C19H22N2O3/c1-13-9-10-17(11-14(13)2)21-18(22)15(3)20-19(23)24-12-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,20,23)(H,21,22)/t15-/m0/s1

InChI Key

LXAIEZHRLGCNBL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00826232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.394

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.49

Polar Surface Area

55.634

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

8006-6948 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with 8006-6948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6948?
Check Price and Availability of 8006-6948, 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 8006-6948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6948
  • 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 8006-6948 available by request