V014-8091 Screening compound: N-(2-methoxyethyl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

V014-8091 Screening compound: N-(2-methoxyethyl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
V014-8091 Screening compound: N-(2-methoxyethyl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8091
N-(2-methoxyethyl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)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

V014-8091

Molecular Formula

C28H33N5O4 (C28 H33 N5 O4)

Compound Name

N-(2-methoxyethyl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

IUPAC name

N-(2-methoxyethyl)-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)benzamide

SMILES

COCCN(CC(N(CCC1)CCN1c(cc1)nnc1-c1cc(OC)ccc1)=O)C(c1ccccc1)=O

InChI

InChI=1S/C28H33N5O4/c1-36-19-18-33(28(35)22-8-4-3-5-9-22)21-27(34)32-15-7-14-31(16-17-32)26-13-12-25(29-30-26)23-10-6-11-24(20-23)37-2/h3-6,8-13,20H,7,14-19,21H2,1-2H3

InChI Key

LAAULQZGQNCCRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19833751

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.6

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

2.699

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-3.00

Polar Surface Area

73.233

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V014-8091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8091?
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What is the minimum amount of V014-8091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8091
  • 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 V014-8091 available by request