8001-1309 Screening compound: 6-amino-4-(2-iodophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

8001-1309 Screening compound: 6-amino-4-(2-iodophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide
8001-1309 Screening compound: 6-amino-4-(2-iodophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1309
6-amino-4-(2-iodophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl 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

8001-1309

Molecular Formula

C14H11IN4O (C14 H11 IN4 O)

Compound Name

6-amino-4-(2-iodophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

IUPAC name

6-amino-4-(2-iodophenyl)-3-methyl-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

Cc1n[nH]c2c1C(c(cccc1)c1I)C(C#N)=C(N)O2

InChI

InChI=1S/C14H11IN4O/c1-7-11-12(8-4-2-3-5-10(8)15)9(6-16)13(17)20-14(11)19-18-7/h2-5,12H,17H2,1H3,(H,18,19)/t12-/m0/s1

InChI Key

FQBWBTKXLRVHDG-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00741362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.17

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.203

Distribution Coefficient, logD

2.203

Water Solubility, LogSw

-2.63

Polar Surface Area

70.551

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.29

8001-1309 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8001-1309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1309?
Check Price and Availability of 8001-1309, 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 8001-1309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1309
  • 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 8001-1309 available by request