S399-1750 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide

S399-1750 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide
S399-1750 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1750
1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide

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

S399-1750

Molecular Formula

C21H21N7O5S (C21 H21 N7 O5 S)

Compound Name

1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide

IUPAC name

1-(213-benzoxadiazole-4-sulfonyl)-N-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c1cccc2nonc12)(=O)=O)NCCc1noc(-c2cnccc2)n1

InChI

InChI=1S/C21H21N7O5S/c29-20(23-10-6-18-24-21(32-26-18)15-3-2-9-22-13-15)14-7-11-28(12-8-14)34(30,31)17-5-1-4-16-19(17)27-33-25-16/h1-5,9,13-14H,6-8,10-12H2,(H,23,29)

InChI Key

MRTQSAHRKMYXKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31977750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.51

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.366

Distribution Coefficient, logD

1.273

Water Solubility, LogSw

-1.65

Polar Surface Area

134.480

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with S399-1750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1750?
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What is the minimum amount of S399-1750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1750
  • 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 S399-1750 available by request