8001-1315 Screening compound: 1-cyano-2-(2-iodophenyl)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)ethyl cyanide

8001-1315 Screening compound: 1-cyano-2-(2-iodophenyl)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)ethyl cyanide
8001-1315 Screening compound: 1-cyano-2-(2-iodophenyl)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)ethyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1315
1-cyano-2-(2-iodophenyl)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)ethyl cyanide

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

8001-1315

Molecular Formula

C14H11IN4O (C14 H11 IN4 O)

Compound Name

1-cyano-2-(2-iodophenyl)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)ethyl cyanide

IUPAC name

2-[(2-iodophenyl)(3-methyl-5-oxo-45-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile

SMILES

CC(C1C(C(C#N)C#N)c(cccc2)c2I)=NNC1=O

InChI

InChI=1S/C14H11IN4O/c1-8-12(14(20)19-18-8)13(9(6-16)7-17)10-4-2-3-5-11(10)15/h2-5,9,12-13H,1H3,(H,19,20)

InChI Key

LQGHVVYSMAHZNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.763

Distribution Coefficient, logD

-4.861

Water Solubility, LogSw

-2.13

Polar Surface Area

70.281

Acid Dissociation Constant (pKa)

0.78

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.57

8001-1315 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8001-1315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1315?
Check Price and Availability of 8001-1315, 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 8001-1315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1315
  • 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 8001-1315 available by request