2039-0583 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-(3-ethoxy-5-iodo-4-methoxyphenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

2039-0583 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-(3-ethoxy-5-iodo-4-methoxyphenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
2039-0583 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-(3-ethoxy-5-iodo-4-methoxyphenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2039-0583
5-amino-3-[(1Z)-1-cyano-2-(3-ethoxy-5-iodo-4-methoxyphenyl)eth-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

2039-0583

Molecular Formula

C18H18IN5O3 (C18 H18 IN5 O3)

Compound Name

5-amino-3-[(1Z)-1-cyano-2-(3-ethoxy-5-iodo-4-methoxyphenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

IUPAC name

5-amino-3-[(1Z)-1-cyano-2-(3-ethoxy-5-iodo-4-methoxyphenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

SMILES

CCOc1cc(/C=C(/c2nn(CCO)c(N)c2C#N)\C#N)cc(I)c1OC

InChI

InChI=1S/C18H18IN5O3/c1-3-27-15-8-11(7-14(19)17(15)26-2)6-12(9-20)16-13(10-21)18(22)24(23-16)4-5-25/h6-8,25H,3-5,22H2,1-2H3

InChI Key

UNYVDPCAHQRPQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01030067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.050

Distribution Coefficient, logD

2.050

Water Solubility, LogSw

-2.32

Polar Surface Area

99.639

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 2039-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2039-0583?
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What is the minimum amount of 2039-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2039-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2039-0583
  • 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 2039-0583 available by request