8011-9798 Screening compound: 6-amino-3-(3,4-dimethoxyphenyl)-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8011-9798 Screening compound: 6-amino-3-(3,4-dimethoxyphenyl)-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8011-9798 Screening compound: 6-amino-3-(3,4-dimethoxyphenyl)-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9798
6-amino-3-(3,4-dimethoxyphenyl)-4-[3-(4-fluorophenyl)-1H-pyrazol-4-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

8011-9798

Molecular Formula

C24H19FN6O3 (C24 H19 FN6 O3)

Compound Name

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

IUPAC name

6-amino-3-(34-dimethoxyphenyl)-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

COc(ccc(-c1n[nH]c2c1C(c1c[nH]nc1-c(cc1)ccc1F)C(C#N)=C(N)O2)c1)c1OC

InChI

InChI=1S/C24H19FN6O3/c1-32-17-8-5-13(9-18(17)33-2)22-20-19(15(10-26)23(27)34-24(20)31-30-22)16-11-28-29-21(16)12-3-6-14(25)7-4-12/h3-9,11,19H,27H2,1-2H3,(H,28,29)(H,30,31)/t19-/m0/s1

InChI Key

DFQOQAAZMSFOKA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03035470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.433

Water Solubility, LogSw

-3.37

Polar Surface Area

109.924

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8011-9798 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-9798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9798?
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What is the minimum amount of 8011-9798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9798
  • 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 8011-9798 available by request