3172-0885 Screening compound: (4Z)-1-(4-bromophenyl)-4-{[3-chloro-5-methoxy-4-(propan-2-yloxy)phenyl]methylidene}pyrazolidine-3,5-dione

3172-0885 Screening compound: (4Z)-1-(4-bromophenyl)-4-{[3-chloro-5-methoxy-4-(propan-2-yloxy)phenyl]methylidene}pyrazolidine-3,5-dione
3172-0885 Screening compound: (4Z)-1-(4-bromophenyl)-4-{[3-chloro-5-methoxy-4-(propan-2-yloxy)phenyl]methylidene}pyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3172-0885
(4Z)-1-(4-bromophenyl)-4-{[3-chloro-5-methoxy-4-(propan-2-yloxy)phenyl]methylidene}pyrazolidine-3,5-dione

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

3172-0885

Molecular Formula

C20H18BrClN2O4 (C20 H18 BrClN2 O4)

Compound Name

(4Z)-1-(4-bromophenyl)-4-{[3-chloro-5-methoxy-4-(propan-2-yloxy)phenyl]methylidene}pyrazolidine-3,5-dione

IUPAC name

(4Z)-1-(4-bromophenyl)-4-{[3-chloro-5-methoxy-4-(propan-2-yloxy)phenyl]methylidene}pyrazolidine-35-dione

SMILES

CC(C)Oc(c(OC)cc(/C=C(/C(NN1c(cc2)ccc2Br)=O)\C1=O)c1)c1Cl

InChI

InChI=1S/C20H18BrClN2O4/c1-11(2)28-18-16(22)9-12(10-17(18)27-3)8-15-19(25)23-24(20(15)26)14-6-4-13(21)5-7-14/h4-11H,1-3H3,(H,23,25)

InChI Key

WNKKAWNXTFCIDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.73

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

4.713

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-5.01

Polar Surface Area

57.366

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3172-0885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3172-0885?
Check Price and Availability of 3172-0885, 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 3172-0885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3172-0885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3172-0885
  • 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 3172-0885 available by request