D676-5075 Screening compound: 5-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)-2-methoxybenzonitrile

D676-5075 Screening compound: 5-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)-2-methoxybenzonitrile
D676-5075 Screening compound: 5-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)-2-methoxybenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D676-5075
5-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)-2-methoxybenzonitrile

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

D676-5075

Molecular Formula

C22H20ClN5O3 (C22 H20 ClN5 O3)

Compound Name

5-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)-2-methoxybenzonitrile

IUPAC name

5-(4-{[5-(3-chlorophenyl)-124-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)-2-methoxybenzonitrile

SMILES

COc(ccc(C(N1CCN(Cc2noc(-c3cccc(Cl)c3)n2)CC1)=O)c1)c1C#N

InChI

InChI=1S/C22H20ClN5O3/c1-30-19-6-5-16(11-17(19)13-24)22(29)28-9-7-27(8-10-28)14-20-25-21(31-26-20)15-3-2-4-18(23)12-15/h2-6,11-12H,7-10,14H2,1H3

InChI Key

HNMKINDHVSGJAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.590

Distribution Coefficient, logD

2.590

Water Solubility, LogSw

-3.38

Polar Surface Area

77.782

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D676-5075 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D676-5075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D676-5075?
Check Price and Availability of D676-5075, 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 D676-5075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D676-5075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D676-5075
  • 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 D676-5075 available by request