V031-2182 Screening compound: 4-[5-({bis[(furan-2-yl)methyl]amino}methyl)furan-2-yl]hepta-1,6-dien-4-ol

V031-2182 Screening compound: 4-[5-({bis[(furan-2-yl)methyl]amino}methyl)furan-2-yl]hepta-1,6-dien-4-ol
V031-2182 Screening compound: 4-[5-({bis[(furan-2-yl)methyl]amino}methyl)furan-2-yl]hepta-1,6-dien-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2182
4-[5-({bis[(furan-2-yl)methyl]amino}methyl)furan-2-yl]hepta-1,6-dien-4-ol

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

V031-2182

Molecular Formula

C22H25NO4 (C22 H25 NO4)

Compound Name

4-[5-({bis[(furan-2-yl)methyl]amino}methyl)furan-2-yl]hepta-1,6-dien-4-ol

IUPAC name

4-[5-({bis[(furan-2-yl)methyl]amino}methyl)furan-2-yl]hepta-16-dien-4-ol

SMILES

C=CCC(CC=C)(c1ccc(CN(Cc2ccco2)Cc2ccco2)o1)O

InChI

InChI=1S/C22H25NO4/c1-3-11-22(24,12-4-2)21-10-9-20(27-21)17-23(15-18-7-5-13-25-18)16-19-8-6-14-26-19/h3-10,13-14,24H,1-2,11-12,15-17H2

InChI Key

KVDFKWQWNCGKQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19870511

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

367.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.460

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.34

Polar Surface Area

43.020

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V031-2182 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V031-2182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2182?
Check Price and Availability of V031-2182, 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 V031-2182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2182
  • 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 V031-2182 available by request