V007-5717 Screening compound: 4-chloro-N-[2-(morpholin-4-yl)ethyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzene-1-sulfonamide

V007-5717 Screening compound: 4-chloro-N-[2-(morpholin-4-yl)ethyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzene-1-sulfonamide
V007-5717 Screening compound: 4-chloro-N-[2-(morpholin-4-yl)ethyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-5717
4-chloro-N-[2-(morpholin-4-yl)ethyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzene-1-sulfonamide

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

V007-5717

Molecular Formula

C29H35ClN6O4S (C29 H35 ClN6 O4 S)

Compound Name

4-chloro-N-[2-(morpholin-4-yl)ethyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzene-1-sulfonamide

IUPAC name

4-chloro-N-[2-(morpholin-4-yl)ethyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-14-diazepan-1-yl]ethyl}benzene-1-sulfonamide

SMILES

O=C(CN(CCN1CCOCC1)S(c(cc1)ccc1Cl)(=O)=O)N(CCC1)CCN1c(cc1)nnc1-c1ccccc1

InChI

InChI=1S/C29H35ClN6O4S/c30-25-7-9-26(10-8-25)41(38,39)36(18-15-33-19-21-40-22-20-33)23-29(37)35-14-4-13-34(16-17-35)28-12-11-27(31-32-28)24-5-2-1-3-6-24/h1-3,5-12H,4,13-23H2

InChI Key

LGEMLBZIPKBLHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19832970

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

599.15

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.231

Water Solubility, LogSw

-3.65

Polar Surface Area

84.130

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.38

V007-5717 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V007-5717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-5717?
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What is the minimum amount of V007-5717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-5717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-5717
  • 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 V007-5717 available by request