4817-0238 Screening compound: 6-amino-3-[4-(2-methylpropyl)phenyl]-4-(thiophen-2-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

4817-0238 Screening compound: 6-amino-3-[4-(2-methylpropyl)phenyl]-4-(thiophen-2-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
4817-0238 Screening compound: 6-amino-3-[4-(2-methylpropyl)phenyl]-4-(thiophen-2-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4817-0238
6-amino-3-[4-(2-methylpropyl)phenyl]-4-(thiophen-2-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

4817-0238

Molecular Formula

C21H20N4OS (C21 H20 N4 OS)

Compound Name

6-amino-3-[4-(2-methylpropyl)phenyl]-4-(thiophen-2-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-3-[4-(2-methylpropyl)phenyl]-4-(thiophen-2-yl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

CC(C)Cc(cc1)ccc1-c1n[nH]c2c1C(c1cccs1)C(C#N)=C(N)O2

InChI

InChI=1S/C21H20N4OS/c1-12(2)10-13-5-7-14(8-6-13)19-18-17(16-4-3-9-27-16)15(11-22)20(23)26-21(18)25-24-19/h3-9,12,17H,10,23H2,1-2H3,(H,24,25)/t17-/m0/s1

InChI Key

GNAJMDUGMWWDEE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02946928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.38

Polar Surface Area

71.491

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 4817-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4817-0238?
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What is the minimum amount of 4817-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4817-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4817-0238
  • 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 4817-0238 available by request