8415-16602 Screening compound: 3-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acid

8415-16602 Screening compound: 3-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acid
8415-16602 Screening compound: 3-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8415-16602
3-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic 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

8415-16602

Molecular Formula

C11H9BrN2O3S (C11 H9 BrN2 O3 S)

Compound Name

3-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acid

IUPAC name

3-{[5-(3-bromophenyl)-134-oxadiazol-2-yl]sulfanyl}propanoic acid

SMILES

OC(CCSc1nnc(-c2cccc(Br)c2)o1)=O

InChI

InChI=1S/C11H9BrN2O3S/c12-8-3-1-2-7(6-8)10-13-14-11(17-10)18-5-4-9(15)16/h1-3,6H,4-5H2,(H,15,16)

InChI Key

ABMDIRVZTDRTIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08072978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.17

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.236

Distribution Coefficient, logD

-0.459

Water Solubility, LogSw

-2.44

Polar Surface Area

58.719

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 8415-16602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8415-16602?
Check Price and Availability of 8415-16602, 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 8415-16602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8415-16602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8415-16602
  • 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 8415-16602 available by request