D676-0545 Screening compound: 1-(3-chlorobenzoyl)-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine

D676-0545 Screening compound: 1-(3-chlorobenzoyl)-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine
D676-0545 Screening compound: 1-(3-chlorobenzoyl)-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D676-0545
1-(3-chlorobenzoyl)-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}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

D676-0545

Molecular Formula

C21H21ClN4O2 (C21 H21 ClN4 O2)

Compound Name

1-(3-chlorobenzoyl)-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine

IUPAC name

1-(3-chlorobenzoyl)-4-{[5-(4-methylphenyl)-124-oxadiazol-3-yl]methyl}piperazine

SMILES

Cc(cc1)ccc1-c1nc(CN(CC2)CCN2C(c2cccc(Cl)c2)=O)no1

InChI

InChI=1S/C21H21ClN4O2/c1-15-5-7-16(8-6-15)20-23-19(24-28-20)14-25-9-11-26(12-10-25)21(27)17-3-2-4-18(22)13-17/h2-8,13H,9-12,14H2,1H3

InChI Key

UNDXSJKGCBRHNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.79

Polar Surface Area

53.095

Acid Dissociation Constant (pKa)

28.15

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D676-0545 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D676-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D676-0545?
Check Price and Availability of D676-0545, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D676-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D676-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D676-0545
  • 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 D676-0545 available by request