D400-6161 Screening compound: 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonyl]-4-(2-methoxyphenyl)piperazine

D400-6161 Screening compound: 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonyl]-4-(2-methoxyphenyl)piperazine
D400-6161 Screening compound: 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonyl]-4-(2-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-6161
1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonyl]-4-(2-methoxyphenyl)piperazine

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

D400-6161

Molecular Formula

C22H26N4O5S (C22 H26 N4 O5 S)

Compound Name

1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonyl]-4-(2-methoxyphenyl)piperazine

IUPAC name

1-[3-(5-ethyl-124-oxadiazol-3-yl)-4-methoxybenzenesulfonyl]-4-(2-methoxyphenyl)piperazine

SMILES

CCc1nc(-c(cc(cc2)S(N(CC3)CCN3c(cccc3)c3OC)(=O)=O)c2OC)no1

InChI

InChI=1S/C22H26N4O5S/c1-4-21-23-22(24-31-21)17-15-16(9-10-19(17)29-2)32(27,28)26-13-11-25(12-14-26)18-7-5-6-8-20(18)30-3/h5-10,15H,4,11-14H2,1-3H3

InChI Key

KHFRDQUJEXSZFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.744

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-3.98

Polar Surface Area

81.513

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with D400-6161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-6161?
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What is the minimum amount of D400-6161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-6161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-6161
  • 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 D400-6161 available by request