C614-5694 Screening compound: 1-[(5-bromothiophen-2-yl)sulfonyl]-4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine

C614-5694 Screening compound: 1-[(5-bromothiophen-2-yl)sulfonyl]-4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine
C614-5694 Screening compound: 1-[(5-bromothiophen-2-yl)sulfonyl]-4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5694
1-[(5-bromothiophen-2-yl)sulfonyl]-4-[5-(4-methoxyphenyl)-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

C614-5694

Molecular Formula

C18H18BrN3O4S2 (C18 H18 BrN3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nnc(C(CC2)CCN2S(c(s2)ccc2Br)(=O)=O)o1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.068

Distribution Coefficient, logD

4.068

Water Solubility, LogSw

-4.09

Polar Surface Area

70.756

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C614-5694 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C614-5694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5694?
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What is the minimum amount of C614-5694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5694
  • 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 C614-5694 available by request