V018-6713 Screening compound: N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(propan-2-yl)cyclobutanecarboxamide

V018-6713 Screening compound: N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(propan-2-yl)cyclobutanecarboxamide
V018-6713 Screening compound: N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(propan-2-yl)cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6713
N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(propan-2-yl)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

V018-6713

Molecular Formula

C27H37N5O4 (C27 H37 N5 O4)

Compound Name

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

IUPAC name

N-(2-{4-[6-(24-dimethoxyphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-N-(propan-2-yl)cyclobutanecarboxamide

SMILES

CC(C)N(CC(N(CCC1)CCN1c(cc1)nnc1-c(ccc(OC)c1)c1OC)=O)C(C1CCC1)=O

InChI

InChI=1S/C27H37N5O4/c1-19(2)32(27(34)20-7-5-8-20)18-26(33)31-14-6-13-30(15-16-31)25-12-11-23(28-29-25)22-10-9-21(35-3)17-24(22)36-4/h9-12,17,19-20H,5-8,13-16,18H2,1-4H3

InChI Key

NHOOMDDOXAPLDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19838448

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.62

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

2.830

Distribution Coefficient, logD

2.825

Water Solubility, LogSw

-3.12

Polar Surface Area

72.809

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

V018-6713 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-6713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-6713?
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What is the minimum amount of V018-6713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6713
  • 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 V018-6713 available by request