6557-0058 Screening compound: 1-{4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one

6557-0058 Screening compound: 1-{4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one
6557-0058 Screening compound: 1-{4-acetyl-1-[4-(3,4-dimethoxyphenyl)-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 6557-0058
1-{4-acetyl-1-[4-(3,4-dimethoxyphenyl)-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

6557-0058

Molecular Formula

C22H24N2O4S (C22 H24 N2 O4 S)

Compound Name

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

IUPAC name

1-{4-acetyl-1-[4-(34-dimethoxyphenyl)-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)cc(OC)c2OC)c(C)s1)=O

InChI

InChI=1S/C22H24N2O4S/c1-11-19(13(3)25)20(14(4)26)12(2)24(11)22-23-21(15(5)29-22)16-8-9-17(27-6)18(10-16)28-7/h8-10H,1-7H3

InChI Key

BSNUXVPJXKLTMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04178559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.604

Distribution Coefficient, logD

3.604

Water Solubility, LogSw

-4.07

Polar Surface Area

55.913

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

6557-0058 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6557-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0058?
Check Price and Availability of 6557-0058, 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 6557-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0058
  • 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 6557-0058 available by request