V008-2489 Screening compound: N-(cyclopropylmethyl)-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxybenzamide

V008-2489 Screening compound: N-(cyclopropylmethyl)-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxybenzamide
V008-2489 Screening compound: N-(cyclopropylmethyl)-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2489
N-(cyclopropylmethyl)-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxybenzamide

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

V008-2489

Molecular Formula

C29H32FN5O3 (C29 H32 FN5 O3)

Compound Name

N-(cyclopropylmethyl)-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxybenzamide

IUPAC name

N-(cyclopropylmethyl)-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-3-methoxybenzamide

SMILES

COc1cccc(C(N(CC2CC2)CC(N(CCC2)CCN2c(cc2)nnc2-c(cc2)ccc2F)=O)=O)c1

InChI

InChI=1S/C29H32FN5O3/c1-38-25-5-2-4-23(18-25)29(37)35(19-21-6-7-21)20-28(36)34-15-3-14-33(16-17-34)27-13-12-26(31-32-27)22-8-10-24(30)11-9-22/h2,4-5,8-13,18,21H,3,6-7,14-17,19-20H2,1H3

InChI Key

GYRSBPINJKXZNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831734

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.879

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-4.00

Polar Surface Area

65.164

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

V008-2489 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V008-2489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2489?
Check Price and Availability of V008-2489, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V008-2489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2489
  • 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 V008-2489 available by request