V027-5326 Screening compound: N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide

V027-5326 Screening compound: N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
V027-5326 Screening compound: N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5326
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide

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

V027-5326

Molecular Formula

C31H36FN5O4 (C31 H36 FN5 O4)

Compound Name

N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide

IUPAC name

N-(2-{4-[6-(34-dimethoxyphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide

SMILES

COc(ccc(-c(cc1)nnc1N(CCC1)CCN1C(CN(Cc(cc1)ccc1F)C(C1CCC1)=O)=O)c1)c1OC

InChI

InChI=1S/C31H36FN5O4/c1-40-27-13-9-24(19-28(27)41-2)26-12-14-29(34-33-26)35-15-4-16-36(18-17-35)30(38)21-37(31(39)23-5-3-6-23)20-22-7-10-25(32)11-8-22/h7-14,19,23H,3-6,15-18,20-21H2,1-2H3

InChI Key

MCQJBGKCNHYGJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19838346

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

561.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.150

Distribution Coefficient, logD

3.037

Water Solubility, LogSw

-3.00

Polar Surface Area

72.881

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

V027-5326 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-5326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5326?
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What is the minimum amount of V027-5326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5326
  • 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 V027-5326 available by request