V026-0671 Screening compound: N-[(furan-2-yl)methyl]-3-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}butanamide

V026-0671 Screening compound: N-[(furan-2-yl)methyl]-3-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}butanamide
V026-0671 Screening compound: N-[(furan-2-yl)methyl]-3-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-0671
N-[(furan-2-yl)methyl]-3-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}butanamide

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

V026-0671

Molecular Formula

C27H33N5O3 (C27 H33 N5 O3)

Compound Name

N-[(furan-2-yl)methyl]-3-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}butanamide

IUPAC name

N-[(furan-2-yl)methyl]-3-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-14-diazepan-1-yl]ethyl}butanamide

SMILES

CC(C)CC(N(CC(N(CCC1)CCN1c(cc1)nnc1-c1ccccc1)=O)Cc1ccco1)=O

InChI

InChI=1S/C27H33N5O3/c1-21(2)18-26(33)32(19-23-10-6-17-35-23)20-27(34)31-14-7-13-30(15-16-31)25-12-11-24(28-29-25)22-8-4-3-5-9-22/h3-6,8-12,17,21H,7,13-16,18-20H2,1-2H3

InChI Key

AUTSPRREBIUVPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19835766

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.59

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

3.742

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-3.83

Polar Surface Area

64.590

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V026-0671 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V026-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-0671?
Check Price and Availability of V026-0671, 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 V026-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-0671
  • 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 V026-0671 available by request