D072-0459 Screening compound: 1-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-4-methylpiperazine

D072-0459 Screening compound: 1-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-4-methylpiperazine
D072-0459 Screening compound: 1-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0459
1-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-4-methylpiperazine

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

D072-0459

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

1-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-4-methylpiperazine

IUPAC name

1-[4-(benzenesulfonyl)-2-(3-methylphenyl)-13-oxazol-5-yl]-4-methylpiperazine

SMILES

Cc1cccc(-c2nc(S(c3ccccc3)(=O)=O)c(N3CCN(C)CC3)o2)c1

InChI

InChI=1S/C21H23N3O3S/c1-16-7-6-8-17(15-16)19-22-20(28(25,26)18-9-4-3-5-10-18)21(27-19)24-13-11-23(2)12-14-24/h3-10,15H,11-14H2,1-2H3

InChI Key

LWNQMSLQZKBXJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04585193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.554

Distribution Coefficient, logD

3.054

Water Solubility, LogSw

-3.74

Polar Surface Area

54.955

Acid Dissociation Constant (pKa)

26.94

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D072-0459 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D072-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0459?
Check Price and Availability of D072-0459, 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 D072-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0459
  • 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 D072-0459 available by request