8013-1860 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl}eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile

8013-1860 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl}eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile
8013-1860 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl}eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1860
5-amino-3-[(1Z)-1-cyano-2-{4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl}eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-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

8013-1860

Molecular Formula

C28H22FN5O3 (C28 H22 FN5 O3)

Compound Name

5-amino-3-[(1Z)-1-cyano-2-{4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl}eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile

IUPAC name

5-amino-3-[(1Z)-1-cyano-2-{4-[(4-fluorophenyl)methoxy]-35-dimethoxyphenyl}eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile

SMILES

COc1cc(/C=C(/c(c(C#N)c2N)nn2-c2ccccc2)\C#N)cc(OC)c1OCc(cc1)ccc1F

InChI

InChI=1S/C28H22FN5O3/c1-35-24-13-19(14-25(36-2)27(24)37-17-18-8-10-21(29)11-9-18)12-20(15-30)26-23(16-31)28(32)34(33-26)22-6-4-3-5-7-22/h3-14H,17,32H2,1-2H3

InChI Key

OAYXSGSCZLKWGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.480

Distribution Coefficient, logD

4.480

Water Solubility, LogSw

-4.85

Polar Surface Area

90.604

Acid Dissociation Constant (pKa)

16.79

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with 8013-1860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1860?
Check Price and Availability of 8013-1860, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8013-1860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1860
  • 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 8013-1860 available by request