V028-1996 Screening compound: 2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-N-propylbenzamide

V028-1996 Screening compound: 2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-N-propylbenzamide
V028-1996 Screening compound: 2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1996
2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-N-propylbenzamide

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

V028-1996

Molecular Formula

C27H30FN5O2 (C27 H30 FN5 O2)

Compound Name

2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-N-propylbenzamide

IUPAC name

2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-14-diazepan-1-yl]ethyl}-N-propylbenzamide

SMILES

CCCN(CC(N(CCC1)CCN1c(cc1)nnc1-c1ccccc1)=O)C(c(cccc1)c1F)=O

InChI

InChI=1S/C27H30FN5O2/c1-2-15-33(27(35)22-11-6-7-12-23(22)28)20-26(34)32-17-8-16-31(18-19-32)25-14-13-24(29-30-25)21-9-4-3-5-10-21/h3-7,9-14H,2,8,15-20H2,1H3

InChI Key

OCUTYITVFKCNFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19835610

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.57

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

3.774

Distribution Coefficient, logD

3.768

Water Solubility, LogSw

-3.88

Polar Surface Area

57.347

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V028-1996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1996?
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What is the minimum amount of V028-1996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1996
  • 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 V028-1996 available by request