D491-4789 Screening compound: 1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-4-[2-(pyridin-2-yl)ethyl]piperazine

D491-4789 Screening compound: 1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-4-[2-(pyridin-2-yl)ethyl]piperazine
D491-4789 Screening compound: 1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-4-[2-(pyridin-2-yl)ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4789
1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-4-[2-(pyridin-2-yl)ethyl]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

D491-4789

Molecular Formula

C21H21BrN4O2 (C21 H21 BrN4 O2)

Compound Name

1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-4-[2-(pyridin-2-yl)ethyl]piperazine

IUPAC name

1-[5-(4-bromophenyl)-12-oxazole-3-carbonyl]-4-[2-(pyridin-2-yl)ethyl]piperazine

SMILES

O=C(c1noc(-c(cc2)ccc2Br)c1)N1CCN(CCc2ncccc2)CC1

InChI

InChI=1S/C21H21BrN4O2/c22-17-6-4-16(5-7-17)20-15-19(24-28-20)21(27)26-13-11-25(12-14-26)10-8-18-3-1-2-9-23-18/h1-7,9,15H,8,10-14H2

InChI Key

YPLPKGAMWSBWQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.467

Water Solubility, LogSw

-3.67

Polar Surface Area

51.484

Acid Dissociation Constant (pKa)

27.72

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D491-4789 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D491-4789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4789?
Check Price and Availability of D491-4789, 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 D491-4789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4789
  • 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 D491-4789 available by request