8009-6622 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

8009-6622 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
8009-6622 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6622
5-amino-3-[(1Z)-1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]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

8009-6622

Molecular Formula

C19H13Cl2N5O2 (C19 H13 Cl2 N5 O2)

Compound Name

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

IUPAC name

5-amino-3-[(1Z)-1-cyano-2-[5-(35-dichlorophenyl)furan-2-yl]eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

SMILES

Nc(n(CCO)nc1/C(/C#N)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1C#N

InChI

InChI=1S/C19H13Cl2N5O2/c20-13-5-11(6-14(21)8-13)17-2-1-15(28-17)7-12(9-22)18-16(10-23)19(24)26(25-18)3-4-27/h1-2,5-8,27H,3-4,24H2

InChI Key

NTIAHYGBBUEKFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01819563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-4.30

Polar Surface Area

92.281

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 8009-6622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6622?
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What is the minimum amount of 8009-6622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6622
  • 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 8009-6622 available by request