D297-0042 Screening compound: 2-(2-methylphenyl)-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)ethan-1-one

D297-0042 Screening compound: 2-(2-methylphenyl)-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)ethan-1-one
D297-0042 Screening compound: 2-(2-methylphenyl)-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D297-0042
2-(2-methylphenyl)-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)ethan-1-one

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

D297-0042

Molecular Formula

C26H30N4O4S (C26 H30 N4 O4 S)

Compound Name

2-(2-methylphenyl)-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)ethan-1-one

IUPAC name

2-(2-methylphenyl)-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-124-oxadiazol-5-yl}piperidin-1-yl)ethan-1-one

SMILES

Cc1c(CC(N(CC2)CCC2c2nc(-c(cc3)ccc3S(N3CCCC3)(=O)=O)no2)=O)cccc1

InChI

InChI=1S/C26H30N4O4S/c1-19-6-2-3-7-22(19)18-24(31)29-16-12-21(13-17-29)26-27-25(28-34-26)20-8-10-23(11-9-20)35(32,33)30-14-4-5-15-30/h2-3,6-11,21H,4-5,12-18H2,1H3

InChI Key

NCCYJYBFLLPZFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.926

Distribution Coefficient, logD

4.926

Water Solubility, LogSw

-4.57

Polar Surface Area

79.842

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with D297-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D297-0042?
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What is the minimum amount of D297-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D297-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D297-0042
  • 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 D297-0042 available by request