6937-0198 Screening compound: 4-{[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-bromobenzoate

6937-0198 Screening compound: 4-{[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-bromobenzoate
6937-0198 Screening compound: 4-{[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6937-0198
4-{[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-bromobenzoate

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

6937-0198

Molecular Formula

C20H15BrN2O4S (C20 H15 BrN2 O4 S)

Compound Name

4-{[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-bromobenzoate

IUPAC name

4-{[5-(2-methoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-bromobenzoate

SMILES

COc(cccc1)c1-c(o1)nnc1SCC#CCOC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C20H15BrN2O4S/c1-25-17-7-3-2-6-16(17)18-22-23-20(27-18)28-13-5-4-12-26-19(24)14-8-10-15(21)11-9-14/h2-3,6-11H,12-13H2,1H3

InChI Key

GBCGTBZYTAVDGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04375984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.861

Distribution Coefficient, logD

4.861

Water Solubility, LogSw

-4.73

Polar Surface Area

58.742

Acid Dissociation Constant (pKa)

24.39

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

6937-0198 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6937-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6937-0198?
Check Price and Availability of 6937-0198, 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 6937-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6937-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6937-0198
  • 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 6937-0198 available by request