V027-5361 Screening compound: 3-fluoro-N-[(4-fluorophenyl)methyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzamide

V027-5361 Screening compound: 3-fluoro-N-[(4-fluorophenyl)methyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzamide
V027-5361 Screening compound: 3-fluoro-N-[(4-fluorophenyl)methyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5361
3-fluoro-N-[(4-fluorophenyl)methyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-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

V027-5361

Molecular Formula

C31H29F2N5O2 (C31 H29 F2 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(Cc(cc1)ccc1F)C(c1cccc(F)c1)=O)N(CCC1)CCN1c(cc1)nnc1-c1ccccc1

InChI

InChI=1S/C31H29F2N5O2/c32-26-12-10-23(11-13-26)21-38(31(40)25-8-4-9-27(33)20-25)22-30(39)37-17-5-16-36(18-19-37)29-15-14-28(34-35-29)24-6-2-1-3-7-24/h1-4,6-15,20H,5,16-19,21-22H2

InChI Key

VPQSXCZAURGSSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19835788

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.6

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

4.287

Distribution Coefficient, logD

4.281

Water Solubility, LogSw

-4.30

Polar Surface Area

57.097

Acid Dissociation Constant (pKa)

22.27

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.58

V027-5361 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V027-5361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5361?
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What is the minimum amount of V027-5361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5361
  • 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 V027-5361 available by request