2082-0008 Screening compound: 2-(2-{[(4Z)-1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetonitrile

2082-0008 Screening compound: 2-(2-{[(4Z)-1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetonitrile
2082-0008 Screening compound: 2-(2-{[(4Z)-1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2082-0008
2-(2-{[(4Z)-1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetonitrile

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

2082-0008

Molecular Formula

C19H14ClN3O3 (C19 H14 ClN3 O3)

Compound Name

2-(2-{[(4Z)-1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetonitrile

IUPAC name

2-(2-{[(4Z)-1-(3-chloro-4-methylphenyl)-35-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetonitrile

SMILES

Cc(ccc(N(C(/C1=C\c(cccc2)c2OCC#N)=O)NC1=O)c1)c1Cl

InChI

InChI=1S/C19H14ClN3O3/c1-12-6-7-14(11-16(12)20)23-19(25)15(18(24)22-23)10-13-4-2-3-5-17(13)26-9-8-21/h2-7,10-11H,9H2,1H3,(H,22,24)

InChI Key

ORFUUKWKBUIMCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.333

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.60

Polar Surface Area

67.756

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 2082-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2082-0008?
Check Price and Availability of 2082-0008, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2082-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2082-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2082-0008
  • 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 2082-0008 available by request