8001-1326 Screening compound: 2,6-diamino-4-(2-iodophenyl)-4H-thiopyran-3,5-dicarbonitrile

8001-1326 Screening compound: 2,6-diamino-4-(2-iodophenyl)-4H-thiopyran-3,5-dicarbonitrile
8001-1326 Screening compound: 2,6-diamino-4-(2-iodophenyl)-4H-thiopyran-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1326
2,6-diamino-4-(2-iodophenyl)-4H-thiopyran-3,5-dicarbonitrile

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

8001-1326

Molecular Formula

C13H9IN4S (C13 H9 IN4 S)

Compound Name

2,6-diamino-4-(2-iodophenyl)-4H-thiopyran-3,5-dicarbonitrile

IUPAC name

26-diamino-4-(2-iodophenyl)-4H-thiopyran-35-dicarbonitrile

SMILES

NC(SC(N)=C(C1c(cccc2)c2I)C#N)=C1C#N

InChI

InChI=1S/C13H9IN4S/c14-10-4-2-1-3-7(10)11-8(5-15)12(17)19-13(18)9(11)6-16/h1-4,11H,17-18H2

InChI Key

GHKYURMIPQGZFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00559012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.330

Distribution Coefficient, logD

2.330

Water Solubility, LogSw

-2.41

Polar Surface Area

74.422

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8001-1326 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 8001-1326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1326?
Check Price and Availability of 8001-1326, 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 8001-1326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1326
  • 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 8001-1326 available by request