C614-5851 Screening compound: 4-({4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

C614-5851 Screening compound: 4-({4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole
C614-5851 Screening compound: 4-({4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5851
4-({4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

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

C614-5851

Molecular Formula

C20H19N5O3S2 (C20 H19 N5 O3 S2)

Compound Name

4-({4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

IUPAC name

4-({4-[5-(2-methylphenyl)-134-oxadiazol-2-yl]piperidin-1-yl}sulfonyl)-213-benzothiadiazole

SMILES

Cc(cccc1)c1-c1nnc(C(CC2)CCN2S(c2cccc3nsnc23)(=O)=O)o1

InChI

InChI=1S/C20H19N5O3S2/c1-13-5-2-3-6-15(13)20-22-21-19(28-20)14-9-11-25(12-10-14)30(26,27)17-8-4-7-16-18(17)24-29-23-16/h2-8,14H,9-12H2,1H3

InChI Key

YKGLMIUFMMXBMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.613

Distribution Coefficient, logD

3.613

Water Solubility, LogSw

-3.60

Polar Surface Area

83.146

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with C614-5851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5851?
Check Price and Availability of C614-5851, 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 C614-5851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5851
  • 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 C614-5851 available by request