8012-4444 Screening compound: 6-amino-3-(4-ethoxy-3-methoxyphenyl)-4-(4-fluorophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8012-4444 Screening compound: 6-amino-3-(4-ethoxy-3-methoxyphenyl)-4-(4-fluorophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8012-4444 Screening compound: 6-amino-3-(4-ethoxy-3-methoxyphenyl)-4-(4-fluorophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4444
6-amino-3-(4-ethoxy-3-methoxyphenyl)-4-(4-fluorophenyl)-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

8012-4444

Molecular Formula

C22H19FN4O3 (C22 H19 FN4 O3)

Compound Name

6-amino-3-(4-ethoxy-3-methoxyphenyl)-4-(4-fluorophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-3-(4-ethoxy-3-methoxyphenyl)-4-(4-fluorophenyl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

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

InChI

InChI=1S/C22H19FN4O3/c1-3-29-16-9-6-13(10-17(16)28-2)20-19-18(12-4-7-14(23)8-5-12)15(11-24)21(25)30-22(19)27-26-20/h4-10,18H,3,25H2,1-2H3,(H,26,27)/t18-/m0/s1

InChI Key

RZXLYSIRQGXIIE-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03036040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.020

Distribution Coefficient, logD

3.020

Water Solubility, LogSw

-3.31

Polar Surface Area

85.314

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 8012-4444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4444?
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What is the minimum amount of 8012-4444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4444
  • 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 8012-4444 available by request