M034-4518 Screening compound: 2-{2-[4-(benzylsulfonyl)piperazino]-3-pyridyl}-5-isopropyl-1,3,4-oxadiazole

M034-4518 Screening compound: 2-{2-[4-(benzylsulfonyl)piperazino]-3-pyridyl}-5-isopropyl-1,3,4-oxadiazole
M034-4518 Screening compound: 2-{2-[4-(benzylsulfonyl)piperazino]-3-pyridyl}-5-isopropyl-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M034-4518
2-{2-[4-(benzylsulfonyl)piperazino]-3-pyridyl}-5-isopropyl-1,3,4-oxadiazole

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

M034-4518

Molecular Formula

C21H25N5O3S (C21 H25 N5 O3 S)

Compound Name

2-{2-[4-(benzylsulfonyl)piperazino]-3-pyridyl}-5-isopropyl-1,3,4-oxadiazole

IUPAC name

1-phenylmethanesulfonyl-4-{3-[5-(propan-2-yl)-134-oxadiazol-2-yl]pyridin-2-yl}piperazine

SMILES

CC(C)c1nnc(-c2cccnc2N(CC2)CCN2S(Cc2ccccc2)(=O)=O)o1

InChI

InChI=1S/C21H25N5O3S/c1-16(2)20-23-24-21(29-20)18-9-6-10-22-19(18)25-11-13-26(14-12-25)30(27,28)15-17-7-4-3-5-8-17/h3-10,16H,11-15H2,1-2H3

InChI Key

IZDBPGISDYIOHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.816

Distribution Coefficient, logD

2.174

Water Solubility, LogSw

-3.47

Polar Surface Area

74.600

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

M034-4518 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M034-4518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M034-4518?
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What is the minimum amount of M034-4518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M034-4518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M034-4518
  • 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 M034-4518 available by request