8006-8633 Screening compound: benzyl N-{1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpropyl}carbamate

8006-8633 Screening compound: benzyl N-{1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpropyl}carbamate
8006-8633 Screening compound: benzyl N-{1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpropyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8633
benzyl N-{1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpropyl}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

8006-8633

Molecular Formula

C21H26N2O3 (C21 H26 N2 O3)

Compound Name

benzyl N-{1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpropyl}carbamate

IUPAC name

benzyl N-{1-[(25-dimethylphenyl)carbamoyl]-2-methylpropyl}carbamate

SMILES

CC(C)C(C(Nc1c(C)ccc(C)c1)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C21H26N2O3/c1-14(2)19(20(24)22-18-12-15(3)10-11-16(18)4)23-21(25)26-13-17-8-6-5-7-9-17/h5-12,14,19H,13H2,1-4H3,(H,22,24)(H,23,25)/t19-/m0/s1

InChI Key

QZVAWCQXCRJPCM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00827103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.361

Distribution Coefficient, logD

4.361

Water Solubility, LogSw

-4.42

Polar Surface Area

55.125

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8006-8633 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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 8006-8633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8633?
Check Price and Availability of 8006-8633, 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 8006-8633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8633
  • 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 8006-8633 available by request