8003-4641 Screening compound: (8E)-2-amino-4-(thiophen-3-yl)-8-[(thiophen-3-yl)methylidene]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

8003-4641 Screening compound: (8E)-2-amino-4-(thiophen-3-yl)-8-[(thiophen-3-yl)methylidene]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
8003-4641 Screening compound: (8E)-2-amino-4-(thiophen-3-yl)-8-[(thiophen-3-yl)methylidene]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4641
(8E)-2-amino-4-(thiophen-3-yl)-8-[(thiophen-3-yl)methylidene]-5,6,7,8-tetrahydro-4H-chromene-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

8003-4641

Molecular Formula

C19H16N2OS2 (C19 H16 N2 OS2)

Compound Name

(8E)-2-amino-4-(thiophen-3-yl)-8-[(thiophen-3-yl)methylidene]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

(8E)-2-amino-4-(thiophen-3-yl)-8-[(thiophen-3-yl)methylidene]-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

NC(OC(/C(/CCC1)=C/c2cscc2)=C1C1c2cscc2)=C1C#N

InChI

InChI=1S/C19H16N2OS2/c20-9-16-17(14-5-7-24-11-14)15-3-1-2-13(18(15)22-19(16)21)8-12-4-6-23-10-12/h4-8,10-11,17H,1-3,21H2/t17-/m1/s1

InChI Key

KRRIHIXTTXDORR-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00743942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

3.946

Water Solubility, LogSw

-4.34

Polar Surface Area

48.735

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

8003-4641 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-4641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4641?
Check Price and Availability of 8003-4641, 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 8003-4641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4641
  • 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 8003-4641 available by request