4072-2701 Screening compound: 2-[(E)-[(piperidin-1-yl)methylidene]amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile

4072-2701 Screening compound: 2-[(E)-[(piperidin-1-yl)methylidene]amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile
4072-2701 Screening compound: 2-[(E)-[(piperidin-1-yl)methylidene]amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2701
2-[(E)-[(piperidin-1-yl)methylidene]amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-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

4072-2701

Molecular Formula

C16H21N3S (C16 H21 N3 S)

Compound Name

2-[(E)-[(piperidin-1-yl)methylidene]amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile

IUPAC name

2-[(E)-[(piperidin-1-yl)methylidene]amino]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carbonitrile

SMILES

N#Cc1c(/N=C/N2CCCCC2)sc2c1CCCCC2

InChI

InChI=1S/C16H21N3S/c17-11-14-13-7-3-1-4-8-15(13)20-16(14)18-12-19-9-5-2-6-10-19/h12H,1-10H2

InChI Key

NGFTWYFGERSWNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02995314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

3.656

Water Solubility, LogSw

-4.17

Polar Surface Area

28.431

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

4072-2701 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4072-2701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2701?
Check Price and Availability of 4072-2701, 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 4072-2701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2701
  • 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 4072-2701 available by request