4314-0022 Screening compound: 1-[(4-methoxynaphthalen-1-yl)sulfonyl]-5,6-dimethyl-1H-1,3-benzodiazole

4314-0022 Screening compound: 1-[(4-methoxynaphthalen-1-yl)sulfonyl]-5,6-dimethyl-1H-1,3-benzodiazole
4314-0022 Screening compound: 1-[(4-methoxynaphthalen-1-yl)sulfonyl]-5,6-dimethyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4314-0022
1-[(4-methoxynaphthalen-1-yl)sulfonyl]-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

4314-0022

Molecular Formula

C20H18N2O3S (C20 H18 N2 O3 S)

Compound Name

1-[(4-methoxynaphthalen-1-yl)sulfonyl]-5,6-dimethyl-1H-1,3-benzodiazole

IUPAC name

1-[(4-methoxynaphthalen-1-yl)sulfonyl]-56-dimethyl-1H-13-benzodiazole

SMILES

Cc(c(C)c1)cc2c1ncn2S(c(c1ccccc11)ccc1OC)(=O)=O

InChI

InChI=1S/C20H18N2O3S/c1-13-10-17-18(11-14(13)2)22(12-21-17)26(23,24)20-9-8-19(25-3)15-6-4-5-7-16(15)20/h4-12H,1-3H3

InChI Key

OZUQEGKEHHDUMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02585256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.537

Distribution Coefficient, logD

4.537

Water Solubility, LogSw

-4.44

Polar Surface Area

45.043

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4314-0022 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4314-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4314-0022?
Check Price and Availability of 4314-0022, 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 4314-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4314-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4314-0022
  • 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 4314-0022 available by request