4036-0520 Screening compound: 6-amino-4-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

4036-0520 Screening compound: 6-amino-4-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
4036-0520 Screening compound: 6-amino-4-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4036-0520
6-amino-4-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-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

4036-0520

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

6-amino-4-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-(25-dimethoxyphenyl)-3-(4-methylphenyl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

Cc(cc1)ccc1-c1n[nH]c2c1C(c(cc(cc1)OC)c1OC)C(C#N)=C(N)O2

InChI

InChI=1S/C22H20N4O3/c1-12-4-6-13(7-5-12)20-19-18(15-10-14(27-2)8-9-17(15)28-3)16(11-23)21(24)29-22(19)26-25-20/h4-10,18H,24H2,1-3H3,(H,25,26)/t18-/m1/s1

InChI Key

UTKVSYDQHLGXLA-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02764515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

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

3.610

Distribution Coefficient, logD

3.610

Water Solubility, LogSw

-3.89

Polar Surface Area

85.647

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

4036-0520 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4036-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4036-0520?
Check Price and Availability of 4036-0520, 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 4036-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4036-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4036-0520
  • 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 4036-0520 available by request