D676-5081 Screening compound: 1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine

D676-5081 Screening compound: 1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine
D676-5081 Screening compound: 1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D676-5081
1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(2-phenyl-1,3-oxazole-4-carbonyl)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

D676-5081

Molecular Formula

C23H20ClN5O3 (C23 H20 ClN5 O3)

Compound Name

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

IUPAC name

1-{[5-(3-chlorophenyl)-124-oxadiazol-3-yl]methyl}-4-(2-phenyl-13-oxazole-4-carbonyl)piperazine

SMILES

O=C(c1coc(-c2ccccc2)n1)N1CCN(Cc2noc(-c3cccc(Cl)c3)n2)CC1

InChI

InChI=1S/C23H20ClN5O3/c24-18-8-4-7-17(13-18)22-26-20(27-32-22)14-28-9-11-29(12-10-28)23(30)19-15-31-21(25-19)16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2

InChI Key

JDXQBKUNYZVDHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-3.80

Polar Surface Area

71.564

Acid Dissociation Constant (pKa)

28.88

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D676-5081 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 D676-5081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D676-5081?
Check Price and Availability of D676-5081, 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 D676-5081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D676-5081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D676-5081
  • 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 D676-5081 available by request