V025-8685 Screening compound: N-[2-(morpholin-4-yl)ethyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide

V025-8685 Screening compound: N-[2-(morpholin-4-yl)ethyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
V025-8685 Screening compound: N-[2-(morpholin-4-yl)ethyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8685
N-[2-(morpholin-4-yl)ethyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]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

V025-8685

Molecular Formula

C31H36N6O5 (C31 H36 N6 O5)

Compound Name

N-[2-(morpholin-4-yl)ethyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[2-(morpholin-4-yl)ethyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-14-diazepan-1-yl]ethyl}-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(CN(CCN1CCOCC1)C(c(cc1)cc2c1OCO2)=O)N(CCC1)CCN1c(cc1)nnc1-c1ccccc1

InChI

InChI=1S/C31H36N6O5/c38-30(36-12-4-11-35(15-16-36)29-10-8-26(32-33-29)24-5-2-1-3-6-24)22-37(14-13-34-17-19-40-20-18-34)31(39)25-7-9-27-28(21-25)42-23-41-27/h1-3,5-10,21H,4,11-20,22-23H2

InChI Key

RIRYLHZBHDFRSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19833272

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

572.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.250

Distribution Coefficient, logD

2.244

Water Solubility, LogSw

-2.81

Polar Surface Area

86.082

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.94

V025-8685 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V025-8685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8685?
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What is the minimum amount of V025-8685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8685
  • 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 V025-8685 available by request