8008-6644 Screening compound: 5-amino-3-[(1Z)-2-{3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

8008-6644 Screening compound: 5-amino-3-[(1Z)-2-{3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
8008-6644 Screening compound: 5-amino-3-[(1Z)-2-{3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6644
5-amino-3-[(1Z)-2-{3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-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

8008-6644

Molecular Formula

C23H18BrCl2N5O3 (C23 H18 BrCl2 N5 O3)

Compound Name

5-amino-3-[(1Z)-2-{3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

IUPAC name

5-amino-3-[(1Z)-2-{3-bromo-4-[(24-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

SMILES

COc1cc(/C=C(/c2nn(CCO)c(N)c2C#N)\C#N)cc(Br)c1OCc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C23H18BrCl2N5O3/c1-33-20-8-13(6-15(10-27)21-17(11-28)23(29)31(30-21)4-5-32)7-18(24)22(20)34-12-14-2-3-16(25)9-19(14)26/h2-3,6-9,32H,4-5,12,29H2,1H3

InChI Key

HKAFRWWMXCFRHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01029823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.313

Distribution Coefficient, logD

4.313

Water Solubility, LogSw

-4.52

Polar Surface Area

99.743

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 8008-6644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6644?
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What is the minimum amount of 8008-6644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6644
  • 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 8008-6644 available by request