8007-7921 Screening compound: 5-amino-3-[(1Z)-2-[2-(benzyloxy)-3,5-diiodophenyl]-1-cyanoeth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile

8007-7921 Screening compound: 5-amino-3-[(1Z)-2-[2-(benzyloxy)-3,5-diiodophenyl]-1-cyanoeth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile
8007-7921 Screening compound: 5-amino-3-[(1Z)-2-[2-(benzyloxy)-3,5-diiodophenyl]-1-cyanoeth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7921
5-amino-3-[(1Z)-2-[2-(benzyloxy)-3,5-diiodophenyl]-1-cyanoeth-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

8007-7921

Molecular Formula

C26H17I2N5O (C26 H17 I2 N5 O)

Compound Name

5-amino-3-[(1Z)-2-[2-(benzyloxy)-3,5-diiodophenyl]-1-cyanoeth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile

IUPAC name

5-amino-3-[(1Z)-2-[2-(benzyloxy)-35-diiodophenyl]-1-cyanoeth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile

SMILES

Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2cc(I)cc(I)c2OCc2ccccc2)c1C#N

InChI

InChI=1S/C26H17I2N5O/c27-20-12-18(25(23(28)13-20)34-16-17-7-3-1-4-8-17)11-19(14-29)24-22(15-30)26(31)33(32-24)21-9-5-2-6-10-21/h1-13H,16,31H2

InChI Key

HYLGQYDATKMVGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01029738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

669.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.607

Distribution Coefficient, logD

6.607

Water Solubility, LogSw

-6.24

Polar Surface Area

75.343

Acid Dissociation Constant (pKa)

16.79

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

8007-7921 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8007-7921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7921?
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What is the minimum amount of 8007-7921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7921
  • 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 8007-7921 available by request