4979-2065 Screening compound: 6-amino-1-(3-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

4979-2065 Screening compound: 6-amino-1-(3-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
4979-2065 Screening compound: 6-amino-1-(3-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4979-2065
6-amino-1-(3-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-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

4979-2065

Molecular Formula

C22H19ClN4O3 (C22 H19 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C1C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc(Cl)c1)cc1)c1O

InChI

InChI=1S/C22H19ClN4O3/c1-3-29-18-9-13(7-8-17(18)28)20-16(11-24)21(25)30-22-19(20)12(2)26-27(22)15-6-4-5-14(23)10-15/h4-10,20,28H,3,25H2,1-2H3/t20-/m1/s1

InChI Key

VFEOGJBFJHJPSG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14710282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.536

Distribution Coefficient, logD

3.535

Water Solubility, LogSw

-3.88

Polar Surface Area

83.075

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 4979-2065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4979-2065?
Check Price and Availability of 4979-2065, 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 4979-2065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4979-2065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4979-2065
  • 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 4979-2065 available by request