C200-6849 Screening compound: 5-[(4-butylbenzenesulfonyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C200-6849 Screening compound: 5-[(4-butylbenzenesulfonyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
C200-6849 Screening compound: 5-[(4-butylbenzenesulfonyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6849
5-[(4-butylbenzenesulfonyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

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

C200-6849

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

5-[(4-butylbenzenesulfonyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

IUPAC name

5-[(4-butylbenzenesulfonyl)methyl]-3-(4-methoxyphenyl)-124-oxadiazole

SMILES

CCCCc(cc1)ccc1S(Cc1nc(-c(cc2)ccc2OC)no1)(=O)=O

InChI

InChI=1S/C20H22N2O4S/c1-3-4-5-15-6-12-18(13-7-15)27(23,24)14-19-21-20(22-26-19)16-8-10-17(25-2)11-9-16/h6-13H,3-5,14H2,1-2H3

InChI Key

AWGPGKZZFMSADO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.252

Distribution Coefficient, logD

5.252

Water Solubility, LogSw

-5.15

Polar Surface Area

67.890

Acid Dissociation Constant (pKa)

21.74

Base Dissociation Constant (pKb)

-8.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C200-6849 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-6849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6849?
Check Price and Availability of C200-6849, 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 C200-6849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6849
  • 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 C200-6849 available by request