8010-0594 Screening compound: 1-(4-ethylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole

8010-0594 Screening compound: 1-(4-ethylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole
8010-0594 Screening compound: 1-(4-ethylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0594
1-(4-ethylbenzenesulfonyl)-5,6-dimethyl-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

8010-0594

Molecular Formula

C17H18N2O2S (C17 H18 N2 O2 S)

Compound Name

1-(4-ethylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole

IUPAC name

1-(4-ethylbenzenesulfonyl)-56-dimethyl-1H-13-benzodiazole

SMILES

CCc(cc1)ccc1S(n1c(cc(C)c(C)c2)c2nc1)(=O)=O

InChI

InChI=1S/C17H18N2O2S/c1-4-14-5-7-15(8-6-14)22(20,21)19-11-18-16-9-12(2)13(3)10-17(16)19/h5-11H,4H2,1-3H3

InChI Key

DKPGATMAFAACDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01870916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.517

Distribution Coefficient, logD

4.517

Water Solubility, LogSw

-4.33

Polar Surface Area

37.684

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8010-0594 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0594?
Check Price and Availability of 8010-0594, 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 8010-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0594
  • 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 8010-0594 available by request