P658-0083 Screening compound: 1-(2-methoxyphenyl)-4-{[4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}piperazine

P658-0083 Screening compound: 1-(2-methoxyphenyl)-4-{[4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}piperazine
P658-0083 Screening compound: 1-(2-methoxyphenyl)-4-{[4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P658-0083
1-(2-methoxyphenyl)-4-{[4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}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

P658-0083

Molecular Formula

C18H20N4O5S (C18 H20 N4 O5 S)

Compound Name

1-(2-methoxyphenyl)-4-{[4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}piperazine

IUPAC name

1-(2-methoxyphenyl)-4-{[4-(5-methyl-134-oxadiazol-2-yl)furan-2-yl]sulfonyl}piperazine

SMILES

Cc1nnc(-c2coc(S(N(CC3)CCN3c(cccc3)c3OC)(=O)=O)c2)o1

InChI

InChI=1S/C18H20N4O5S/c1-13-19-20-18(27-13)14-11-17(26-12-14)28(23,24)22-9-7-21(8-10-22)15-5-3-4-6-16(15)25-2/h3-6,11-12H,7-10H2,1-2H3

InChI Key

NOINUKKKIZQVON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27609606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.827

Distribution Coefficient, logD

1.827

Water Solubility, LogSw

-2.33

Polar Surface Area

82.441

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P658-0083 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P658-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P658-0083?
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What is the minimum amount of P658-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P658-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P658-0083
  • 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 P658-0083 available by request