V028-0644 Screening compound: 2-fluoro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]benzamide

V028-0644 Screening compound: 2-fluoro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
V028-0644 Screening compound: 2-fluoro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0644
2-fluoro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]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

V028-0644

Molecular Formula

C31H37FN6O3 (C31 H37 FN6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(cc1)nnc1N(CCC1)CCN1C(CN(CCN1CCOCC1)C(c(cccc1)c1F)=O)=O

InChI

InChI=1S/C31H37FN6O3/c1-24-7-9-25(10-8-24)28-11-12-29(34-33-28)36-13-4-14-37(18-17-36)30(39)23-38(16-15-35-19-21-41-22-20-35)31(40)26-5-2-3-6-27(26)32/h2-3,5-12H,4,13-23H2,1H3

InChI Key

JHEMLQSRMSGLGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837607

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

560.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.076

Distribution Coefficient, logD

3.043

Water Solubility, LogSw

-3.27

Polar Surface Area

68.966

Acid Dissociation Constant (pKa)

22.81

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

References: we are preparing a list of scientific research reports with V028-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0644?
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What is the minimum amount of V028-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0644
  • 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 V028-0644 available by request