C614-5802 Screening compound: 1-[(5-bromothiophen-2-yl)sulfonyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine

C614-5802 Screening compound: 1-[(5-bromothiophen-2-yl)sulfonyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine
C614-5802 Screening compound: 1-[(5-bromothiophen-2-yl)sulfonyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5802
1-[(5-bromothiophen-2-yl)sulfonyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine

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

C614-5802

Molecular Formula

C18H18BrN3O3S2 (C18 H18 BrN3 O3 S2)

Compound Name

1-[(5-bromothiophen-2-yl)sulfonyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine

IUPAC name

1-[(5-bromothiophen-2-yl)sulfonyl]-4-[5-(3-methylphenyl)-134-oxadiazol-2-yl]piperidine

SMILES

Cc1cccc(-c2nnc(C(CC3)CCN3S(c(s3)ccc3Br)(=O)=O)o2)c1

InChI

InChI=1S/C18H18BrN3O3S2/c1-12-3-2-4-14(11-12)18-21-20-17(25-18)13-7-9-22(10-8-13)27(23,24)16-6-5-15(19)26-16/h2-6,11,13H,7-10H2,1H3

InChI Key

GPPQXDHHFMVUQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.376

Distribution Coefficient, logD

4.376

Water Solubility, LogSw

-4.27

Polar Surface Area

63.212

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C614-5802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5802?
Check Price and Availability of C614-5802, 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 C614-5802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5802
  • 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 C614-5802 available by request