8012-4468 Screening compound: 6-amino-4-(3-hydroxyphenyl)-3-(thiophen-2-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8012-4468 Screening compound: 6-amino-4-(3-hydroxyphenyl)-3-(thiophen-2-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8012-4468 Screening compound: 6-amino-4-(3-hydroxyphenyl)-3-(thiophen-2-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4468
6-amino-4-(3-hydroxyphenyl)-3-(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

8012-4468

Molecular Formula

C17H12N4O2S (C17 H12 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

NC(Oc1c(C2c3cc(O)ccc3)c(-c3cccs3)n[nH]1)=C2C#N

InChI

InChI=1S/C17H12N4O2S/c18-8-11-13(9-3-1-4-10(22)7-9)14-15(12-5-2-6-24-12)20-21-17(14)23-16(11)19/h1-7,13,22H,19H2,(H,20,21)/t13-/m0/s1

InChI Key

NIAPVJIOPFTASB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03036045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.439

Distribution Coefficient, logD

2.435

Water Solubility, LogSw

-2.38

Polar Surface Area

89.109

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 8012-4468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4468?
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What is the minimum amount of 8012-4468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4468
  • 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 8012-4468 available by request