8010-6131 Screening compound: 6-amino-3-methyl-4-(3-phenoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8010-6131 Screening compound: 6-amino-3-methyl-4-(3-phenoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8010-6131 Screening compound: 6-amino-3-methyl-4-(3-phenoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6131
6-amino-3-methyl-4-(3-phenoxyphenyl)-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

8010-6131

Molecular Formula

C20H16N4O2 (C20 H16 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1n[nH]c2c1C(c1cc(Oc3ccccc3)ccc1)C(C#N)=C(N)O2

InChI

InChI=1S/C20H16N4O2/c1-12-17-18(16(11-21)19(22)26-20(17)24-23-12)13-6-5-9-15(10-13)25-14-7-3-2-4-8-14/h2-10,18H,22H2,1H3,(H,23,24)/t18-/m1/s1

InChI Key

IIAPOSMAYUERMP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01414885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.096

Distribution Coefficient, logD

3.096

Water Solubility, LogSw

-3.34

Polar Surface Area

77.299

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 8010-6131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6131?
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What is the minimum amount of 8010-6131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6131
  • 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 8010-6131 available by request