4032-1962 Screening compound: N-[4-(3-{[(5Z)-3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetamide

4032-1962 Screening compound: N-[4-(3-{[(5Z)-3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetamide
4032-1962 Screening compound: N-[4-(3-{[(5Z)-3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4032-1962
N-[4-(3-{[(5Z)-3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetamide

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

4032-1962

Molecular Formula

C25H22BrN3O3S (C25 H22 BrN3 O3 S)

Compound Name

N-[4-(3-{[(5Z)-3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetamide

IUPAC name

N-[4-(3-{[(5Z)-3-[(4-bromophenyl)methyl]-24-dioxo-13-thiazolidin-5-ylidene]methyl}-25-dimethyl-1H-pyrrol-1-yl)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1-n1c(C)c(/C=C(/C(N2Cc(cc3)ccc3Br)=O)\SC2=O)cc1C)=O

InChI

InChI=1S/C25H22BrN3O3S/c1-15-12-19(16(2)29(15)22-10-8-21(9-11-22)27-17(3)30)13-23-24(31)28(25(32)33-23)14-18-4-6-20(26)7-5-18/h4-13H,14H2,1-3H3,(H,27,30)

InChI Key

FUTRQNROCZSOQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03031302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.214

Distribution Coefficient, logD

5.214

Water Solubility, LogSw

-5.00

Polar Surface Area

55.522

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 4032-1962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4032-1962?
Check Price and Availability of 4032-1962, 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 4032-1962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4032-1962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4032-1962
  • 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 4032-1962 available by request