6557-0061 Screening compound: 1-{4-acetyl-1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one

6557-0061 Screening compound: 1-{4-acetyl-1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one
6557-0061 Screening compound: 1-{4-acetyl-1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0061
1-{4-acetyl-1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one

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

6557-0061

Molecular Formula

C20H19BrN2O2S (C20 H19 BrN2 O2 S)

Compound Name

1-{4-acetyl-1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one

IUPAC name

1-{4-acetyl-1-[4-(4-bromophenyl)-5-methyl-13-thiazol-2-yl]-25-dimethyl-1H-pyrrol-3-yl}ethan-1-one

SMILES

CC(c(c(C(C)=O)c1C)c(C)n1-c1nc(-c(cc2)ccc2Br)c(C)s1)=O

InChI

InChI=1S/C20H19BrN2O2S/c1-10-17(12(3)24)18(13(4)25)11(2)23(10)20-22-19(14(5)26-20)15-6-8-16(21)9-7-15/h6-9H,1-5H3

InChI Key

VZWFXOMJNARCDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04156008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.727

Distribution Coefficient, logD

4.727

Water Solubility, LogSw

-4.79

Polar Surface Area

40.652

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6557-0061 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6557-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0061?
Check Price and Availability of 6557-0061, 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 6557-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0061
  • 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 6557-0061 available by request