V027-8481 Screening compound: N-butyl-2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

V027-8481 Screening compound: N-butyl-2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
V027-8481 Screening compound: N-butyl-2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8481
N-butyl-2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

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

V027-8481

Molecular Formula

C30H37N5O2 (C30 H37 N5 O2)

Compound Name

N-butyl-2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

IUPAC name

N-butyl-2-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)benzamide

SMILES

CCCCN(CC(N(CCC1)CCN1c(cc1)nnc1-c1ccc(C)cc1)=O)C(c1c(C)cccc1)=O

InChI

InChI=1S/C30H37N5O2/c1-4-5-17-35(30(37)26-10-7-6-9-24(26)3)22-29(36)34-19-8-18-33(20-21-34)28-16-15-27(31-32-28)25-13-11-23(2)12-14-25/h6-7,9-16H,4-5,8,17-22H2,1-3H3

InChI Key

VEWVKDYAMPVGRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19838318

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.089

Distribution Coefficient, logD

5.056

Water Solubility, LogSw

-4.80

Polar Surface Area

57.347

Acid Dissociation Constant (pKa)

23.01

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V027-8481 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Antibacterial Compounds Library (13827 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V027-8481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8481?
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What is the minimum amount of V027-8481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8481
  • 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 V027-8481 available by request