V008-5717 Screening compound: N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2H-1,3-benzodioxole-5-carboxamide

V008-5717 Screening compound: N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2H-1,3-benzodioxole-5-carboxamide
V008-5717 Screening compound: N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-5717
N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2H-1,3-benzodioxole-5-carboxamide

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

V008-5717

Molecular Formula

C27H28ClN5O4 (C27 H28 ClN5 O4)

Compound Name

N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2H-13-benzodioxole-5-carboxamide

SMILES

CCN(CC(N(CCC1)CCN1c(cc1)nnc1-c(cccc1)c1Cl)=O)C(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C27H28ClN5O4/c1-2-31(27(35)19-8-10-23-24(16-19)37-18-36-23)17-26(34)33-13-5-12-32(14-15-33)25-11-9-22(29-30-25)20-6-3-4-7-21(20)28/h3-4,6-11,16H,2,5,12-15,17-18H2,1H3

InChI Key

CJFNRJQRXAALEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831395

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.384

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-3.83

Polar Surface Area

74.208

Acid Dissociation Constant (pKa)

23.05

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 V008-5717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-5717?
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What is the minimum amount of V008-5717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-5717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-5717
  • 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 V008-5717 available by request