4303-0795 Screening compound: 6-amino-4-{3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

4303-0795 Screening compound: 6-amino-4-{3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
4303-0795 Screening compound: 6-amino-4-{3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4303-0795
6-amino-4-{3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl}-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

4303-0795

Molecular Formula

C23H21FN4O3 (C23 H21 FN4 O3)

Compound Name

6-amino-4-{3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-{3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

CCOc(cc(C1C(C#N)=C(N)Oc2c1c(C)n[nH]2)cc1)c1OCc1cccc(F)c1

InChI

InChI=1S/C23H21FN4O3/c1-3-29-19-10-15(7-8-18(19)30-12-14-5-4-6-16(24)9-14)21-17(11-25)22(26)31-23-20(21)13(2)27-28-23/h4-10,21H,3,12,26H2,1-2H3,(H,27,28)/t21-/m0/s1

InChI Key

QXCMZRXXIHMRSH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02631353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.975

Distribution Coefficient, logD

2.975

Water Solubility, LogSw

-3.32

Polar Surface Area

85.076

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 4303-0795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4303-0795?
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What is the minimum amount of 4303-0795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4303-0795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4303-0795
  • 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 4303-0795 available by request