4478-7214 Screening compound: methyl 4-[6-amino-1-(3-chlorophenyl)-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl]benzoate

4478-7214 Screening compound: methyl 4-[6-amino-1-(3-chlorophenyl)-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl]benzoate
4478-7214 Screening compound: methyl 4-[6-amino-1-(3-chlorophenyl)-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-7214
methyl 4-[6-amino-1-(3-chlorophenyl)-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl]benzoate

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

4478-7214

Molecular Formula

C22H17ClN4O3 (C22 H17 ClN4 O3)

Compound Name

methyl 4-[6-amino-1-(3-chlorophenyl)-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl]benzoate

IUPAC name

methyl 4-[6-amino-1-(3-chlorophenyl)-5-cyano-3-methyl-1H4H-pyrano[23-c]pyrazol-4-yl]benzoate

SMILES

Cc(c(C1c(cc2)ccc2C(OC)=O)c2OC(N)=C1C#N)nn2-c1cccc(Cl)c1

InChI

InChI=1S/C22H17ClN4O3/c1-12-18-19(13-6-8-14(9-7-13)22(28)29-2)17(11-24)20(25)30-21(18)27(26-12)16-5-3-4-15(23)10-16/h3-10,19H,25H2,1-2H3/t19-/m1/s1

InChI Key

QRJUOHPYKQJKRH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01835824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.870

Distribution Coefficient, logD

3.870

Water Solubility, LogSw

-4.79

Polar Surface Area

80.490

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 4478-7214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-7214?
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What is the minimum amount of 4478-7214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-7214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-7214
  • 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 4478-7214 available by request