4072-2691 Screening compound: 2-[(E)-[(azepan-1-yl)methylidene]amino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile

4072-2691 Screening compound: 2-[(E)-[(azepan-1-yl)methylidene]amino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
4072-2691 Screening compound: 2-[(E)-[(azepan-1-yl)methylidene]amino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2691
2-[(E)-[(azepan-1-yl)methylidene]amino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile

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

4072-2691

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

2-[(E)-[(azepan-1-yl)methylidene]amino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile

IUPAC name

2-[(E)-[(azepan-1-yl)methylidene]amino]-45-bis(4-methoxyphenyl)furan-3-carbonitrile

SMILES

COc(cc1)ccc1-c1c(-c(cc2)ccc2OC)oc(/N=C/N2CCCCCC2)c1C#N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.416

Distribution Coefficient, logD

4.340

Water Solubility, LogSw

-5.51

Polar Surface Area

52.446

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

4072-2691 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4072-2691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2691?
Check Price and Availability of 4072-2691, 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 4072-2691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2691
  • 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 4072-2691 available by request