D653-0130 Screening compound: 1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]piperazine

D653-0130 Screening compound: 1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]piperazine
D653-0130 Screening compound: 1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0130
1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-4-[(pyridin-4-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

D653-0130

Molecular Formula

C20H19BrN4O2 (C20 H19 BrN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1noc(-c(cc2)ccc2Br)c1)N1CCN(Cc2ccncc2)CC1

InChI

InChI=1S/C20H19BrN4O2/c21-17-3-1-16(2-4-17)19-13-18(23-27-19)20(26)25-11-9-24(10-12-25)14-15-5-7-22-8-6-15/h1-8,13H,9-12,14H2

InChI Key

WNCGSEYSLSHRKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.3

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

2.889

Distribution Coefficient, logD

2.864

Water Solubility, LogSw

-3.00

Polar Surface Area

51.391

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D653-0130 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D653-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0130?
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What is the minimum amount of D653-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0130
  • 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 D653-0130 available by request