4478-5331 Screening compound: 6-amino-4-(4-methoxyphenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

4478-5331 Screening compound: 6-amino-4-(4-methoxyphenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
4478-5331 Screening compound: 6-amino-4-(4-methoxyphenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-5331
6-amino-4-(4-methoxyphenyl)-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

4478-5331

Molecular Formula

C15H14N4O2 (C15 H14 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1n[nH]c2c1C(c(cc1)ccc1OC)C(C#N)=C(N)O2

InChI

InChI=1S/C15H14N4O2/c1-8-12-13(9-3-5-10(20-2)6-4-9)11(7-16)14(17)21-15(12)19-18-8/h3-6,13H,17H2,1-2H3,(H,18,19)/t13-/m1/s1

InChI Key

IGGISYUBGOYLQH-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00418336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.444

Distribution Coefficient, logD

1.444

Water Solubility, LogSw

-1.66

Polar Surface Area

78.095

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

4478-5331 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4478-5331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-5331?
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What is the minimum amount of 4478-5331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-5331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-5331
  • 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 4478-5331 available by request