8415-16814 Screening compound: 2-({5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetic acid

8415-16814 Screening compound: 2-({5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetic acid
8415-16814 Screening compound: 2-({5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8415-16814
2-({5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetic acid

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

8415-16814

Molecular Formula

C12H12N2O4S (C12 H12 N2 O4 S)

Compound Name

2-({5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetic acid

IUPAC name

2-({5-[(4-methoxyphenyl)methyl]-134-oxadiazol-2-yl}sulfanyl)acetic acid

SMILES

COc1ccc(Cc(o2)nnc2SCC(O)=O)cc1

InChI

InChI=1S/C12H12N2O4S/c1-17-9-4-2-8(3-5-9)6-10-13-14-12(18-10)19-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)

InChI Key

VJAIUAWBBNEUHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08277545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.070

Distribution Coefficient, logD

-2.223

Water Solubility, LogSw

-1.90

Polar Surface Area

65.929

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8415-16814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8415-16814?
Check Price and Availability of 8415-16814, 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 8415-16814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8415-16814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8415-16814
  • 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 8415-16814 available by request