C613-0043 Screening compound: 4-{6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine

C613-0043 Screening compound: 4-{6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine
C613-0043 Screening compound: 4-{6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound C613-0043
4-{6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine

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

C613-0043

Molecular Formula

C19H22BrN5O2 (C19 H22 BrN5 O2)

Compound Name

4-{6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine

IUPAC name

4-{6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine

SMILES

O=C(c(cc1)ccc1Br)N(CC1)CCN1c(cc1)nnc1N1CCOCC1

InChI

InChI=1S/C19H22BrN5O2/c20-16-3-1-15(2-4-16)19(26)25-9-7-23(8-10-25)17-5-6-18(22-21-17)24-11-13-27-14-12-24/h1-6H,7-14H2

InChI Key

ZASUXVKFAANMJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.699

Distribution Coefficient, logD

2.694

Water Solubility, LogSw

-2.71

Polar Surface Area

52.178

Acid Dissociation Constant (pKa)

24.54

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C613-0043 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 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 C613-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C613-0043?
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What is the minimum amount of C613-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C613-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C613-0043
  • 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 C613-0043 available by request