4429-0091 Screening compound: 1-(4-chlorobenzoyl)-2-(ethylsulfanyl)-1H-1,3-benzodiazole

4429-0091 Screening compound: 1-(4-chlorobenzoyl)-2-(ethylsulfanyl)-1H-1,3-benzodiazole
4429-0091 Screening compound: 1-(4-chlorobenzoyl)-2-(ethylsulfanyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4429-0091
1-(4-chlorobenzoyl)-2-(ethylsulfanyl)-1H-1,3-benzodiazole

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

4429-0091

Molecular Formula

C16H13ClN2OS (C16 H13 ClN2 OS)

Compound Name

1-(4-chlorobenzoyl)-2-(ethylsulfanyl)-1H-1,3-benzodiazole

IUPAC name

1-(4-chlorobenzoyl)-2-(ethylsulfanyl)-1H-13-benzodiazole

SMILES

CCSc1nc(cccc2)c2n1C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C16H13ClN2OS/c1-2-21-16-18-13-5-3-4-6-14(13)19(16)15(20)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3

InChI Key

UEWAQCDIPUULSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02647899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.433

Water Solubility, LogSw

-4.66

Polar Surface Area

24.688

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4429-0091 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4429-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4429-0091?
Check Price and Availability of 4429-0091, 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 4429-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4429-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4429-0091
  • 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 4429-0091 available by request