V003-6562 Screening compound: N-(butan-2-yl)-2-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}propanamide

V003-6562 Screening compound: N-(butan-2-yl)-2-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}propanamide
V003-6562 Screening compound: N-(butan-2-yl)-2-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6562
N-(butan-2-yl)-2-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}propanamide

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

V003-6562

Molecular Formula

C24H33N5O2 (C24 H33 N5 O2)

Compound Name

N-(butan-2-yl)-2-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}propanamide

IUPAC name

N-(butan-2-yl)-2-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}propanamide

SMILES

CCC(C)N(CC(N(CC1)CCN1c(cc1)nnc1-c1ccccc1)=O)C(C(C)C)=O

InChI

InChI=1S/C24H33N5O2/c1-5-19(4)29(24(31)18(2)3)17-23(30)28-15-13-27(14-16-28)22-12-11-21(25-26-22)20-9-7-6-8-10-20/h6-12,18-19H,5,13-17H2,1-4H3/t19-/m0/s1

InChI Key

CTFBUDQJSKGCEA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19825448

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.484

Water Solubility, LogSw

-3.40

Polar Surface Area

56.637

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V003-6562 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-6562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6562?
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What is the minimum amount of V003-6562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6562
  • 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 V003-6562 available by request