4979-2100 Screening compound: 6-amino-1-(3-chlorophenyl)-3-methyl-4-(pyridin-3-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

4979-2100 Screening compound: 6-amino-1-(3-chlorophenyl)-3-methyl-4-(pyridin-3-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
4979-2100 Screening compound: 6-amino-1-(3-chlorophenyl)-3-methyl-4-(pyridin-3-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4979-2100
6-amino-1-(3-chlorophenyl)-3-methyl-4-(pyridin-3-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-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

4979-2100

Molecular Formula

C19H14ClN5O (C19 H14 ClN5 O)

Compound Name

6-amino-1-(3-chlorophenyl)-3-methyl-4-(pyridin-3-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-1-(3-chlorophenyl)-3-methyl-4-(pyridin-3-yl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

Cc(c(C1c2cnccc2)c2OC(N)=C1C#N)nn2-c1cccc(Cl)c1

InChI

InChI=1S/C19H14ClN5O/c1-11-16-17(12-4-3-7-23-10-12)15(9-21)18(22)26-19(16)25(24-11)14-6-2-5-13(20)8-14/h2-8,10,17H,22H2,1H3/t17-/m1/s1

InChI Key

HXPQYHOOPMSIGW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01575752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.700

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-3.48

Polar Surface Area

68.834

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

4979-2100 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 4979-2100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4979-2100?
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What is the minimum amount of 4979-2100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4979-2100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4979-2100
  • 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 4979-2100 available by request