1809-0279 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-[4-(methylsulfanyl)phenyl]eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

1809-0279 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-[4-(methylsulfanyl)phenyl]eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
1809-0279 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-[4-(methylsulfanyl)phenyl]eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1809-0279
5-amino-3-[(1Z)-1-cyano-2-[4-(methylsulfanyl)phenyl]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

1809-0279

Molecular Formula

C16H15N5OS (C16 H15 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(/C=C(/c2nn(CCO)c(N)c2C#N)\C#N)cc1

InChI

InChI=1S/C16H15N5OS/c1-23-13-4-2-11(3-5-13)8-12(9-17)15-14(10-18)16(19)21(20-15)6-7-22/h2-5,8,22H,6-7,19H2,1H3

InChI Key

WIBWFQUYFBDBHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01052003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.713

Distribution Coefficient, logD

1.713

Water Solubility, LogSw

-1.80

Polar Surface Area

84.711

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

1809-0279 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1809-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1809-0279?
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What is the minimum amount of 1809-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1809-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1809-0279
  • 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 1809-0279 available by request