8006-2852 Screening compound: butyl 2-{[(diethylcarbamoyl)methyl]sulfanyl}-1H-1,3-benzodiazole-1-carboxylate

8006-2852 Screening compound: butyl 2-{[(diethylcarbamoyl)methyl]sulfanyl}-1H-1,3-benzodiazole-1-carboxylate
8006-2852 Screening compound: butyl 2-{[(diethylcarbamoyl)methyl]sulfanyl}-1H-1,3-benzodiazole-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2852
butyl 2-{[(diethylcarbamoyl)methyl]sulfanyl}-1H-1,3-benzodiazole-1-carboxylate

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

8006-2852

Molecular Formula

C18H25N3O3S (C18 H25 N3 O3 S)

Compound Name

butyl 2-{[(diethylcarbamoyl)methyl]sulfanyl}-1H-1,3-benzodiazole-1-carboxylate

IUPAC name

butyl 2-{[(diethylcarbamoyl)methyl]sulfanyl}-1H-13-benzodiazole-1-carboxylate

SMILES

CCCCOC(n1c(SCC(N(CC)CC)=O)nc2c1cccc2)=O

InChI

InChI=1S/C18H25N3O3S/c1-4-7-12-24-18(23)21-15-11-9-8-10-14(15)19-17(21)25-13-16(22)20(5-2)6-3/h8-11H,4-7,12-13H2,1-3H3

InChI Key

LUJSYDFUNNSSOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.802

Water Solubility, LogSw

-3.66

Polar Surface Area

46.711

Acid Dissociation Constant (pKa)

20.46

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8006-2852 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-2852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2852?
Check Price and Availability of 8006-2852, 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 8006-2852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2852
  • 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 8006-2852 available by request