4979-2789 Screening compound: 6-amino-3-(4-chlorophenyl)-4-(thiophen-2-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

4979-2789 Screening compound: 6-amino-3-(4-chlorophenyl)-4-(thiophen-2-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
4979-2789 Screening compound: 6-amino-3-(4-chlorophenyl)-4-(thiophen-2-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4979-2789
6-amino-3-(4-chlorophenyl)-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

4979-2789

Molecular Formula

C17H11ClN4OS (C17 H11 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

NC(Oc1c(C2c3cccs3)c(-c(cc3)ccc3Cl)n[nH]1)=C2C#N

InChI

InChI=1S/C17H11ClN4OS/c18-10-5-3-9(4-6-10)15-14-13(12-2-1-7-24-12)11(8-19)16(20)23-17(14)22-21-15/h1-7,13H,20H2,(H,21,22)/t13-/m0/s1

InChI Key

SLHMDSJMRNESNX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03172683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.225

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-3.96

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

5.90

References: we are preparing a list of scientific research reports with 4979-2789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4979-2789?
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What is the minimum amount of 4979-2789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4979-2789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4979-2789
  • 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 4979-2789 available by request